4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethyl-thiophen-3-yl]carbonyl-2-cyclopentyl-phenoxy]sulfonyl-3-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethyl-thiophen-3-yl]carbonyl-2-cyclopentyl-phenoxy]sulfonyl-3-oxidanyl-benzoic acid Openeye Name: 4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethyl-thiophene-3-carbonyl]-2-cyclopentyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 4-[4-[[2-[(2-bromophenyl)methyl]-4,5-dimethyl-3-thiophenyl]-oxomethyl]-2-cyclopentylphenoxy]sulfonyl-3-hydroxybenzoic acid IUPAC Name: 4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethylthiophene-3-carbonyl]-2-cyclopentylphenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[4-[2-(2-bromobenzyl)-4,5-dimethyl-thiophene-3-carbonyl]-2-cyclopentyl-phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C32H29BrO7S2 MolecularWeight: 669.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)C(=O)O)O)C4CCCC4)CC5=CC=CC=C5Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)C(=O)O)O)C4CCCC4)CC5=CC=CC=C5Br)C

InChI

InChI=1S/C32H29BrO7S2/c1-18-19(2)41-28(17-21-9-5-6-10-25(21)33)30(18)31(35)22-11-13-27(24(15-22)20-7-3-4-8-20)40-42(38,39)29-14-12-23(32(36)37)16-26(29)34/h5-6,9-16,20,34H,3-4,7-8,17H2,1-2H3,(H,36,37)