[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O7S/c1-34(31,32)21-12-11-16(13-20(21)26(29)30)24(28)33-23(15-7-3-2-4-8-15)22(27)18-14-25-19-10-6-5-9-17(18)19/h2-14,23,25H,1H3