2-fluoranyl-5-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[[(4-isobutylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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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)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4S2/c1-14(2)12-15-5-7-16(8-6-15)21(20-4-3-11-29-20)24-30(27,28)17-9-10-19(23)18(13-17)22(25)26/h3-11,13-14,21,24H,12H2,1-2H3,(H,25,26)