N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-butyl-N-(1,1-dioxo-3-thiolanyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-butyl-N-(1,1-diketothiolan-3-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H31N3O5S3 MolecularWeight: 489.67224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O5S3/c1-2-3-12-23(17-9-13-30(25,26)16-17)20(24)15-29-19-8-7-18(14-21-19)31(27,28)22-10-5-4-6-11-22/h7-8,14,17H,2-6,9-13,15-16H2,1H3