4-[2-[1-(phenylsulfonyl)piperidin-3-yl]oxyphenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[1-(phenylsulfonyl)piperidin-3-yl]oxyphenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[[1-(benzenesulfonyl)-3-piperidyl]oxy]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[[1-(benzenesulfonyl)-3-piperidinyl]oxy]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[(1-besyl-3-piperidyl)oxy]phenyl]piperazine-1-carboxylic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3N4CCN(CC4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3N4CCN(CC4)C(=O)O

InChI

InChI=1S/C22H27N3O5S/c26-22(27)24-15-13-23(14-16-24)20-10-4-5-11-21(20)30-18-7-6-12-25(17-18)31(28,29)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,26,27)