[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O5S/c25-15-8-16-27(21-11-3-1-4-12-21)23(28)18-32-24(29)19-9-7-10-20(17-19)26-33(30,31)22-13-5-2-6-14-22/h1-7,9-14,17,26H,8,16,18H2