4-tert-butyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C22H31N3O2S MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H31N3O2S/c1-22(2,3)20-6-8-21(9-7-20)28(26,27)24-16-18-10-13-25(14-11-18)17-19-5-4-12-23-15-19/h4-9,12,15,18,24H,10-11,13-14,16-17H2,1-3H3