(2R)-N-(4-azanylcyclohexyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-fluorobenzyl)-m-anisyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C32H39FN4O3S MolecularWeight: 578.740463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H39FN4O3S/c1-40-28-5-2-4-23(18-28)21-36(20-22-7-9-24(33)10-8-22)27-15-16-37(32(39)30-6-3-17-41-30)29(19-27)31(38)35-26-13-11-25(34)12-14-26/h2-10,17-18,25-27,29H,11-16,19-21,34H2,1H3,(H,35,38)/t25?,26?,27?,29-/m1/s1