Methyl 3-[[[(dimethylamino)methylene]amino]sulfonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate

CAS Registry Number®

60376-76-3

CAS Name

Methyl 3-[[[(dimethylamino)methylene]amino]sulfonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate

Molecular Formula

C21H25N3O5S

Molecular Mass

431.51

Cite this Page

Methyl 3-[[[(dimethylamino)methylene]amino]sulfonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60376-76-3 (retrieved 2024-11-24) (CAS RN: 60376-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-190 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H25N3O5S/c1-23(2)15-22-30(26,27)19-14-16(21(25)28-3)13-18(24-11-7-8-12-24)20(19)29-17-9-5-4-6-10-17/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3

InChIKey

InChIKey=HBDOTWMVKQPCIB-UHFFFAOYSA-N

SMILES

O(C1=C(S(N=CN(C)C)(=O)=O)C=C(C(OC)=O)C=C1N2CCCC2)C3=CC=CC=C3

Canonical SMILES

O=C(OC)C=1C=C(C(OC=2C=CC=CC2)=C(C1)S(=O)(=O)N=CN(C)C)N3CCCC3

Other Names for this Substance

  • Benzoic acid, 3-[[[(dimethylamino)methylene]amino]sulfonyl]-4-phenoxy-5-(1-pyrrolidinyl)-, methyl ester
  • Methyl 3-[[[(dimethylamino)methylene]amino]sulfonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate