[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylsulfonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylsulfonylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-(benzenesulfonamido)acetate CAS Name: 2-(benzenesulfonamido)acetic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-(benzenesulfonamido)acetate Traditional Name: 2-(benzenesulfonamido)acetic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6S/c1-2-29-18-11-9-17(10-12-18)24(14-6-13-22)20(25)16-30-21(26)15-23-31(27,28)19-7-4-3-5-8-19/h3-5,7-12,23H,2,6,14-16H2,1H3