3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O6S2/c1-23(15-16-6-3-2-4-7-16)31(28,29)19-12-10-18(11-13-19)22-30(26,27)20-9-5-8-17(14-20)21(24)25/h2-14,22H,15H2,1H3,(H,24,25)