N-[3-[4-[[2-(azepan-1-yl)-2-phenyl-ethyl]amino]piperidin-1-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[3-[4-[[2-(azepan-1-yl)-2-phenyl-ethyl]amino]piperidin-1-yl]phenyl]ethanesulfonamide Openeye Name: N-[3-[4-[[2-(azepan-1-yl)-2-phenyl-ethyl]amino]-1-piperidyl]phenyl]ethanesulfonamide CAS Name: N-[3-[4-[[2-(1-azepanyl)-2-phenylethyl]amino]-1-piperidinyl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[4-[[2-(azepan-1-yl)-2-phenylethyl]amino]piperidin-1-yl]phenyl]ethanesulfonamide Traditional Name: N-[3-[4-[[2-(azepan-1-yl)-2-phenyl-ethyl]amino]piperidino]phenyl]ethanesulfonamide Formula: C27H40N4O2S MolecularWeight: 484.6971

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)N2CCC(CC2)NCC(C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)N2CCC(CC2)NCC(C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H40N4O2S/c1-2-34(32,33)29-25-13-10-14-26(21-25)30-19-15-24(16-20-30)28-22-27(23-11-6-5-7-12-23)31-17-8-3-4-9-18-31/h5-7,10-14,21,24,27-29H,2-4,8-9,15-20,22H2,1H3