3-methyl-4-[(4-methylphenyl)methylsulfanyl]-2-sulfamoyl-benzoic acid

Systemtic Name: 3-methyl-4-[(4-methylphenyl)methylsulfanyl]-2-sulfamoyl-benzoic acid Openeye Name: 3-methyl-4-(p-tolylmethylsulfanyl)-2-sulfamoyl-benzoic acid CAS Name: 3-methyl-4-[(4-methylphenyl)methylthio]-2-sulfamoylbenzoic acid IUPAC Name: 3-methyl-4-[(4-methylphenyl)methylsulfanyl]-2-sulfamoylbenzoic acid Traditional Name: 3-methyl-4-[(4-methylbenzyl)thio]-2-sulfamoyl-benzoic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=C(C=C2)C(=O)O)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=C(C=C2)C(=O)O)S(=O)(=O)N)C

InChI

InChI=1S/C16H17NO4S2/c1-10-3-5-12(6-4-10)9-22-14-8-7-13(16(18)19)15(11(14)2)23(17,20)21/h3-8H,9H2,1-2H3,(H,18,19)(H2,17,20,21)