N-(1,3-benzodioxol-5-yl)-1-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]isonipecotamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(=O)CSCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H29N3O5S/c26-20(24-8-2-1-3-9-24)13-31-14-21(27)25-10-6-16(7-11-25)22(28)23-17-4-5-18-19(12-17)30-15-29-18/h4-5,12,16H,1-3,6-11,13-15H2,(H,23,28)