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

Systemtic Name: 3-[4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]phenyl]propionic acid Formula: C24H27NO4S2 MolecularWeight: 457.60548

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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=C(C=C3)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S2/c1-17(2)16-19-5-10-20(11-6-19)24(22-4-3-15-30-22)25-31(28,29)21-12-7-18(8-13-21)9-14-23(26)27/h3-8,10-13,15,17,24-25H,9,14,16H2,1-2H3,(H,26,27)