[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-23(2)17-8-7-13(9-18(17)24(27)28)32(29,30)22-11-20(26)31-12-19(25)15-10-21-16-6-4-3-5-14(15)16/h3-10,21-22H,11-12H2,1-2H3