(2R)-N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C32H39N5O4S MolecularWeight: 589.74816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H39N5O4S/c33-25-10-12-26(13-11-25)34-31(38)29-21-28(17-19-36(29)32(39)30-7-4-20-42-30)35(18-16-23-5-2-1-3-6-23)22-24-8-14-27(15-9-24)37(40)41/h1-9,14-15,20,25-26,28-29H,10-13,16-19,21-22,33H2,(H,34,38)/t25?,26?,28?,29-/m1/s1