(2-chlorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]carbamic acid

Systemtic Name: (2-chlorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]carbamic acid Openeye Name: (2-chlorophenyl)methyl-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]carbamic acid CAS Name: (2-chlorophenyl)methyl-[[1-propylsulfonyl-4-(2-pyridinyl)-4-piperidinyl]methyl]carbamic acid IUPAC Name: (2-chlorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamic acid Traditional Name: (2-chlorobenzyl)-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]carbamic acid Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CN(CC2=CC=CC=C2Cl)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CN(CC2=CC=CC=C2Cl)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C22H28ClN3O4S/c1-2-15-31(29,30)26-13-10-22(11-14-26,20-9-5-6-12-24-20)17-25(21(27)28)16-18-7-3-4-8-19(18)23/h3-9,12H,2,10-11,13-17H2,1H3,(H,27,28)