(phenylmethyl) N-(cyclohexylmethyl)-N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-(cyclohexylmethyl)-N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]carbamate hydrochloride Openeye Name: benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-(cyclohexylmethyl)carbamate hydrochloride CAS Name: N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-(cyclohexylmethyl)carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclohexylmethyl)carbamate hydrochloride Traditional Name: N-[1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-(cyclohexylmethyl)carbamic acid benzyl ester hydrochloride Formula: C37H50ClN3O4S MolecularWeight: 668.3286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)N(CC2CCCCC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

CN(CC(CCN1CCC(CC1)N(CC2CCCCC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C37H49N3O4S.ClH/c1-38(45(42,43)36-20-12-5-13-21-36)29-34(33-18-10-4-11-19-33)22-25-39-26-23-35(24-27-39)40(28-31-14-6-2-7-15-31)37(41)44-30-32-16-8-3-9-17-32;/h3-5,8-13,16-21,31,34-35H,2,6-7,14-15,22-30H2,1H3;1H