3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)CS(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)CS(=O)(=O)N)C

InChI

InChI=1S/C16H18N2O6S2/c1-10-7-13(16(19)20)8-15(11(10)2)26(23,24)18-14-5-3-12(4-6-14)9-25(17,21)22/h3-8,18H,9H2,1-2H3,(H,19,20)(H2,17,21,22)