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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C24H33N5O4S MolecularWeight: 487.61492

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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)NCCN)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3=CC=CS3

InChI

InChI=1S/C24H33N5O4S/c1-17(2)15-27(16-18-5-7-19(8-6-18)29(32)33)20-9-12-28(24(31)22-4-3-13-34-22)21(14-20)23(30)26-11-10-25/h3-8,13,17,20-21H,9-12,14-16,25H2,1-2H3,(H,26,30)/t20?,21-/m1/s1