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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN([C@H](CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H33N5O4S/c29-14-15-30-27(34)25-19-24(13-17-32(25)28(35)26-7-4-18-38-26)31(16-12-21-5-2-1-3-6-21)20-22-8-10-23(11-9-22)33(36)37/h1-11,18,24-25H,12-17,19-20,29H2,(H,30,34)/t24?,25-/m1/s1