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

Systemtic Name: 4-methoxy-3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]benzoic acid Openeye Name: 3-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C23H25NO5S2 MolecularWeight: 459.5783

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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=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c1-15(2)13-16-6-8-17(9-7-16)22(20-5-4-12-30-20)24-31(27,28)21-14-18(23(25)26)10-11-19(21)29-3/h4-12,14-15,22,24H,13H2,1-3H3,(H,25,26)