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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H23NO4S2/c1-3-5-16-8-11-17(12-9-16)21(19-6-4-13-28-19)23-29(26,27)20-14-18(22(24)25)10-7-15(20)2/h4,6-14,21,23H,3,5H2,1-2H3,(H,24,25)