(2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C26H30N6O4S MolecularWeight: 522.6192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN([C@H](CC1N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H30N6O4S/c27-10-12-29-25(33)24-15-22(9-13-31(24)26(34)20-3-1-11-28-16-20)30(18-23-4-2-14-37-23)17-19-5-7-21(8-6-19)32(35)36/h1-8,11,14,16,22,24H,9-10,12-13,15,17-18,27H2,(H,29,33)/t22?,24-/m1/s1