N-(2-phenylsulfanylethyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-phenylsulfanylethyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(phenylthio)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H23N3O3S2/c23-19(21-11-14-26-17-5-2-1-3-6-17)16-8-12-22(13-9-16)27(24,25)18-7-4-10-20-15-18/h1-7,10,15-16H,8-9,11-14H2,(H,21,23)