(3-nitrophenyl)methyl 2-oxidanyl-5-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-oxidanyl-5-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3-nitrophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[(phenylmethyl)sulfamoyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate Traditional Name: 5-(benzylsulfamoyl)-2-hydroxy-benzoic acid (3-nitrobenzyl) ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c24-20-10-9-18(31(28,29)22-13-15-5-2-1-3-6-15)12-19(20)21(25)30-14-16-7-4-8-17(11-16)23(26)27/h1-12,22,24H,13-14H2