(3S,5R)-N-(2-cyclohexyl-2-phenyl-ethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide

Systemtic Name: (3S,5R)-N-(2-cyclohexyl-2-phenyl-ethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide Openeye Name: (3S,5R)-N-(2-cyclohexyl-2-phenyl-ethyl)-5-(p-tolylsulfonylamino)piperidine-3-carboxamide CAS Name: (3S,5R)-N-(2-cyclohexyl-2-phenylethyl)-5-[(4-methylphenyl)sulfonylamino]-3-piperidinecarboxamide IUPAC Name: (3S,5R)-N-(2-cyclohexyl-2-phenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide Traditional Name: (3S,5R)-N-(2-cyclohexyl-2-phenyl-ethyl)-5-(tosylamino)nipecotamide Formula: C27H37N3O3S MolecularWeight: 483.66598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22-24,26,28,30H,3,6-7,10-11,16-19H2,1H3,(H,29,31)/t23-,24+,26?/m0/s1