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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O4S/c1-18(32)30-13-12-23(15-25(30)26(33)28-21-8-6-20(27)7-9-21)29(17-24-3-2-14-36-24)16-19-4-10-22(11-5-19)31(34)35/h2-5,10-11,14,20-21,23,25H,6-9,12-13,15-17,27H2,1H3,(H,28,33)/t20?,21?,23?,25-/m1/s1