1-[[1-(phenylsulfonyl)piperidin-4-yl]methyl]azepane

Systemtic Name: 1-[[1-(phenylsulfonyl)piperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(benzenesulfonyl)-4-piperidyl]methyl]azepane CAS Name: 1-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]azepane Traditional Name: 1-[(1-besyl-4-piperidyl)methyl]azepane Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H28N2O2S/c21-23(22,18-8-4-3-5-9-18)20-14-10-17(11-15-20)16-19-12-6-1-2-7-13-19/h3-5,8-9,17H,1-2,6-7,10-16H2