3-[(4-bromanyl-2-fluoranyl-phenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)sulfonylamino]-5-(4-isobutylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-bromo-2-fluoro-phenyl)sulfonylamino]-5-(4-isobutylphenyl)-2-thenoic acid Formula: C21H19BrFNO4S2 MolecularWeight: 512.412263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H19BrFNO4S2/c1-12(2)9-13-3-5-14(6-4-13)18-11-17(20(29-18)21(25)26)24-30(27,28)19-8-7-15(22)10-16(19)23/h3-8,10-12,24H,9H2,1-2H3,(H,25,26)