[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylsulfonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylsulfonylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(benzenesulfonamido)acetate CAS Name: 2-(benzenesulfonamido)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(benzenesulfonamido)acetate Traditional Name: 2-(benzenesulfonamido)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O5S/c1-16-11-17(2)13-18(12-16)24(10-6-9-22)20(25)15-29-21(26)14-23-30(27,28)19-7-4-3-5-8-19/h3-5,7-8,11-13,23H,6,10,14-15H2,1-2H3