[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O7S/c1-33(30,31)21-12-11-18(14-20(21)25(28)29)23(27)32-15-22(26)24-19-10-6-5-9-17(19)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,24,26)