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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C24H31N5O4S/c25-10-11-26-23(30)22-14-20(9-12-28(22)24(31)18-5-6-18)27(16-21-2-1-13-34-21)15-17-3-7-19(8-4-17)29(32)33/h1-4,7-8,13,18,20,22H,5-6,9-12,14-16,25H2,(H,26,30)/t20?,22-/m1/s1