3-[[4-[2-cyanoethyl(phenylsulfonyl)amino]-2-methyl-phenyl]methylideneamino]benzoic acid

Systemtic Name: 3-[[4-[2-cyanoethyl(phenylsulfonyl)amino]-2-methyl-phenyl]methylideneamino]benzoic acid Openeye Name: 3-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methyl-phenyl]methyleneamino]benzoic acid CAS Name: 3-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid IUPAC Name: 3-[[4-[benzenesulfonyl(2-cyanoethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid Traditional Name: 3-[[4-[besyl(2-cyanoethyl)amino]-2-methyl-benzylidene]amino]benzoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H21N3O4S/c1-18-15-22(27(14-6-13-25)32(30,31)23-9-3-2-4-10-23)12-11-20(18)17-26-21-8-5-7-19(16-21)24(28)29/h2-5,7-12,15-17H,6,14H2,1H3,(H,28,29)