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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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