[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-12-20(15-6-4-5-7-16(15)24-12)21(27)13(2)32-19(26)11-23-33(30,31)14-8-9-17(22-3)18(10-14)25(28)29/h4-10,13,22-24H,11H2,1-3H3