2-[(4-cyanophenyl)amino]-2-(3,4-diethoxyphenyl)-2-(methylsulfonylamino)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3,4-diethoxyphenyl)-2-(methylsulfonylamino)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3,4-diethoxyphenyl)-2-(methanesulfonamido)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(3,4-diethoxyphenyl)-2-(methanesulfonamido)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3,4-diethoxyphenyl)-2-(methanesulfonamido)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3,4-diethoxyphenyl)-2-(methanesulfonamido)acetic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(=O)O)(NC2=CC=C(C=C2)C#N)NS(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(=O)O)(NC2=CC=C(C=C2)C#N)NS(=O)(=O)C)OCC

InChI

InChI=1S/C20H23N3O6S/c1-4-28-17-11-8-15(12-18(17)29-5-2)20(19(24)25,23-30(3,26)27)22-16-9-6-14(13-21)7-10-16/h6-12,22-23H,4-5H2,1-3H3,(H,24,25)