1-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]isonipecotamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S/c27-22(23-16-20(21-8-5-15-30-21)24-11-3-4-12-24)17-9-13-25(14-10-17)18-6-1-2-7-19(18)26(28)29/h1-2,5-8,15,17,20H,3-4,9-14,16H2,(H,23,27)/t20-/m0/s1