4-bromanyl-3-(carboxymethyloxy)-5-[3-[1-(phenylmethyl)sulfonylpiperidin-4-yl]oxyphenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[1-(phenylmethyl)sulfonylpiperidin-4-yl]oxyphenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(1-benzylsulfonyl-4-piperidyl)oxy]phenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[[1-(phenylmethyl)sulfonyl-4-piperidinyl]oxy]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(1-benzylsulfonylpiperidin-4-yl)oxyphenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid Traditional Name: 5-[3-[(1-benzylsulfonyl-4-piperidyl)oxy]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thenoic acid Formula: C25H24BrNO8S2 MolecularWeight: 610.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24BrNO8S2/c26-21-22(34-14-20(28)29)24(25(30)31)36-23(21)17-7-4-8-19(13-17)35-18-9-11-27(12-10-18)37(32,33)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,28,29)(H,30,31)