(2R)-N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C30H42N4O3S MolecularWeight: 538.74448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H42N4O3S/c1-21-6-2-3-7-22(21)19-33(20-26-8-4-16-37-26)25-14-15-34(30(36)28-9-5-17-38-28)27(18-25)29(35)32-24-12-10-23(31)11-13-24/h2-3,5-7,9,17,23-27H,4,8,10-16,18-20,31H2,1H3,(H,32,35)/t23?,24?,25?,26?,27-/m1/s1