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

Systemtic Name: 3-[(4-bromanyl-2-methyl-phenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(4-bromo-2-methyl-phenyl)sulfonylamino]-5-(4-isobutylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[(4-bromo-2-methylphenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-bromo-2-methylphenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-bromo-2-methyl-phenyl)sulfonylamino]-5-(4-isobutylphenyl)-2-thenoic acid Formula: C22H22BrNO4S2 MolecularWeight: 508.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)CC(C)C)C(=O)O

InChI

InChI=1S/C22H22BrNO4S2/c1-13(2)10-15-4-6-16(7-5-15)19-12-18(21(29-19)22(25)26)24-30(27,28)20-9-8-17(23)11-14(20)3/h4-9,11-13,24H,10H2,1-3H3,(H,25,26)