N-(3-phenylsulfanylpropyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-phenylsulfanylpropyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(phenylthio)propyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-phenylsulfanylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(phenylthio)propyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c24-20(22-12-5-15-27-18-6-2-1-3-7-18)17-9-13-23(14-10-17)28(25,26)19-8-4-11-21-16-19/h1-4,6-8,11,16-17H,5,9-10,12-15H2,(H,22,24)