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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pipecolinamide Formula: C25H33N5O5S MolecularWeight: 515.62502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H33N5O5S/c26-10-11-27-24(31)22-15-20(9-12-29(22)25(32)23-4-2-14-36-23)28(17-21-3-1-13-35-21)16-18-5-7-19(8-6-18)30(33)34/h2,4-8,14,20-22H,1,3,9-13,15-17,26H2,(H,27,31)/t20?,21?,22-/m1/s1