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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C27H37N5O5S MolecularWeight: 543.67818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCN(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/C27H37N5O5S/c1-37-15-14-30(18-19-4-10-22(11-5-19)32(35)36)23-12-13-31(27(34)25-3-2-16-38-25)24(17-23)26(33)29-21-8-6-20(28)7-9-21/h2-5,10-11,16,20-21,23-24H,6-9,12-15,17-18,28H2,1H3,(H,29,33)/t20?,21?,23?,24-/m1/s1