[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O8S/c1-13(2)11-21-20(27)22-18(25)12-32-19(26)16-8-3-4-9-17(16)23-33(30,31)15-7-5-6-14(10-15)24(28)29/h3-10,13,23H,11-12H2,1-2H3,(H2,21,22,25,27)