3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]benzoic acid Openeye Name: 3-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H23NO4S2/c1-15(2)13-16-8-10-17(11-9-16)21(20-7-4-12-28-20)23-29(26,27)19-6-3-5-18(14-19)22(24)25/h3-12,14-15,21,23H,13H2,1-2H3,(H,24,25)