[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O5S/c1-14(19(24)22-16-9-7-15(13-20)8-10-16)27-18(23)11-12-21-28(25,26)17-5-3-2-4-6-17/h2-10,14,21H,11-12H2,1H3,(H,22,24)