[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H21N3O8S/c1-13(24)15-4-10-18(11-5-15)32(29,30)22(3)12-19(25)31-14(2)20(26)21-16-6-8-17(9-7-16)23(27)28/h4-11,14H,12H2,1-3H3,(H,21,26)