[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c1-11-8-13(4-7-15(11)20(23)24)17(22)27-10-16(21)19-9-12-2-5-14(6-3-12)28(18,25)26/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,25,26)