[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-(tosylamino)acetyl]amino]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-13-3-7-16(8-4-13)32(29,30)22-10-19(25)21-11-20(26)31-12-18(24)15-6-5-14(2)17(9-15)23(27)28/h3-9,22H,10-12H2,1-2H3,(H,21,25)