2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(phenylsulfonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(phenylsulfonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-(benzenesulfonamido)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[3-(benzenesulfonamido)-5-ethylphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[3-(benzenesulfonamido)-5-ethylphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[3-(benzenesulfonamido)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O4S/c1-2-16-12-18(22(23(27)28)25-19-10-8-17(15-24)9-11-19)14-20(13-16)26-31(29,30)21-6-4-3-5-7-21/h3-14,22,25-26H,2H2,1H3,(H,27,28)