4-bromanyl-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonyl-4-piperidyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonyl-4-piperidinyl)amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-mesyl-4-piperidyl)amino]phenyl]-2-thenoic acid Formula: C19H21BrN2O7S2 MolecularWeight: 533.41324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C19H21BrN2O7S2/c1-31(27,28)22-7-5-12(6-8-22)21-13-4-2-3-11(9-13)17-15(20)16(29-10-14(23)24)18(30-17)19(25)26/h2-4,9,12,21H,5-8,10H2,1H3,(H,23,24)(H,25,26)