N-[(5-Cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-2-thiophenesulfonamide

CAS Registry Number®

530145-62-1
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CAS Name

N-[(5-Cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-2-thiophenesulfonamide

Molecular Formula

C21H19N3O5S2

Molecular Mass

457.52

Cite this Page

N-[(5-Cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-2-thiophenesulfonamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=530145-62-1 (retrieved 2024-09-15) (CAS RN: 530145-62-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146-147 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H19N3O5S2/c22-13-17-8-9-20(24(26)27)18(11-17)14-23(31(28,29)21-7-4-10-30-21)19(15-25)12-16-5-2-1-3-6-16/h1-11,19,25H,12,14-15H2/t19-/m1/s1

InChIKey

InChIKey=FTRWHMCJQMAHDE-LJQANCHMSA-N

SMILES

N(CC1=C(N(=O)=O)C=CC(C#N)=C1)([C@H](CC2=CC=CC=C2)CO)S(=O)(=O)C3=CC=CS3

Canonical SMILES

N#CC1=CC=C(C(=C1)CN(C(CO)CC=2C=CC=CC2)S(=O)(=O)C=3SC=CC3)N(=O)=O

Other Names for this Substance

  • 2-Thiophenesulfonamide, N-[(5-cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-
  • N-[(5-Cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-2-thiophenesulfonamide
  • (R)-N-[(5-Cyano-2-nitrophenyl)methyl]-N-[1-(hydroxymethyl)-2-phenylethyl]thiophene-2-sulfonamide
  • (R)-N-(5-Cyano-2-nitrobenzyl)-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-sulfonamide