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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C22H29N5O4S/c1-16(28)26-11-8-19(13-21(26)22(29)24-10-9-23)25(15-20-3-2-12-32-20)14-17-4-6-18(7-5-17)27(30)31/h2-7,12,19,21H,8-11,13-15,23H2,1H3,(H,24,29)/t19?,21-/m1/s1