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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[p-anisyl(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C30H42N4O4S MolecularWeight: 554.74388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H42N4O4S/c1-37-25-12-6-21(7-13-25)19-33(20-26-4-2-16-38-26)24-14-15-34(30(36)28-5-3-17-39-28)27(18-24)29(35)32-23-10-8-22(31)9-11-23/h3,5-7,12-13,17,22-24,26-27H,2,4,8-11,14-16,18-20,31H2,1H3,(H,32,35)/t22?,23?,24?,26?,27-/m1/s1