[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O7S/c1-15(22(28)26-17-7-10-19(11-8-17)35(24,32)33)34-23(29)20-13-18(27(30)31)9-12-21(20)25-14-16-5-3-2-4-6-16/h2-13,15,25H,14H2,1H3,(H,26,28)(H2,24,32,33)/t15-/m0/s1