1-[[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methyl]azepane

Systemtic Name: 1-[[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(4-isobutylphenyl)sulfonyl-4-piperidyl]methyl]azepane CAS Name: 1-[[1-[4-(2-methylpropyl)phenyl]sulfonyl-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methyl]azepane Traditional Name: 1-[[1-(4-isobutylphenyl)sulfonyl-4-piperidyl]methyl]azepane Formula: C22H36N2O2S MolecularWeight: 392.59844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C22H36N2O2S/c1-19(2)17-20-7-9-22(10-8-20)27(25,26)24-15-11-21(12-16-24)18-23-13-5-3-4-6-14-23/h7-10,19,21H,3-6,11-18H2,1-2H3