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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H39N5O4S MolecularWeight: 541.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H39N5O4S/c1-19(2)17-31(18-20-5-11-23(12-6-20)33(36)37)24-13-14-32(28(35)26-4-3-15-38-26)25(16-24)27(34)30-22-9-7-21(29)8-10-22/h3-6,11-12,15,19,21-22,24-25H,7-10,13-14,16-18,29H2,1-2H3,(H,30,34)/t21?,22?,24?,25-/m1/s1