[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C23H20N2O9S MolecularWeight: 500.4779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O9S/c1-14(22(27)15-7-9-16(33-2)10-8-15)34-23(28)18-5-3-4-6-19(18)24-35(31,32)17-11-12-21(26)20(13-17)25(29)30/h3-14,24,26H,1-2H3/t14-/m0/s1