1-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(1-besylisonipecotoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c25-21(24-13-5-9-18-19(22(26)27)8-4-10-20(18)24)16-11-14-23(15-12-16)30(28,29)17-6-2-1-3-7-17/h1-4,6-8,10,16H,5,9,11-15H2,(H,26,27)