(3S)-N-[(5-chloranylthiophen-2-yl)methyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-chloranylthiophen-2-yl)methyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-6-oxo-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(5-chloro-2-thiophenyl)methyl]-6-oxo-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(5-chloro-2-thienyl)methyl]-6-keto-1-(2-pyridylmethyl)nipecotamide Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC=C(S2)Cl)CC3=CC=CC=N3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC=C(S2)Cl)CC3=CC=CC=N3

InChI

InChI=1S/C17H18ClN3O2S/c18-15-6-5-14(24-15)9-20-17(23)12-4-7-16(22)21(10-12)11-13-3-1-2-8-19-13/h1-3,5-6,8,12H,4,7,9-11H2,(H,20,23)/t12-/m0/s1