methyl 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H21N3O7S/c1-25(15-16-6-4-3-5-7-16)34(31,32)21-10-8-19(9-11-21)24-22(27)17-12-18(23(28)33-2)14-20(13-17)26(29)30/h3-14H,15H2,1-2H3,(H,24,27)