4-[[4-[2-cyanoethyl(phenylsulfonyl)amino]phenyl]methylideneamino]benzoic acid

Systemtic Name: 4-[[4-[2-cyanoethyl(phenylsulfonyl)amino]phenyl]methylideneamino]benzoic acid Openeye Name: 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]phenyl]methyleneamino]benzoic acid CAS Name: 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]benzoic acid IUPAC Name: 4-[[4-[benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]benzoic acid Traditional Name: 4-[[4-[besyl(2-cyanoethyl)amino]benzylidene]amino]benzoic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H19N3O4S/c24-15-4-16-26(31(29,30)22-5-2-1-3-6-22)21-13-7-18(8-14-21)17-25-20-11-9-19(10-12-20)23(27)28/h1-3,5-14,17H,4,16H2,(H,27,28)