[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O6S/c1-16(25)17-8-10-19(11-9-17)31(28,29)23(2)14-21(27)30-15-20(26)24(13-12-22)18-6-4-3-5-7-18/h3-11H,13-15H2,1-2H3