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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[p-anisyl(2-thenyl)amino]pipecolinamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)OC)CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)OC)CC4=CC=CS4

InChI

InChI=1S/C27H38N4O3S/c1-19(32)31-14-13-23(16-26(31)27(33)29-22-9-7-21(28)8-10-22)30(18-25-4-3-15-35-25)17-20-5-11-24(34-2)12-6-20/h3-6,11-12,15,21-23,26H,7-10,13-14,16-18,28H2,1-2H3,(H,29,33)/t21?,22?,23?,26-/m1/s1