N-(2-methylbutan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-tert-amyl-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C17H28N4O3S2 MolecularWeight: 400.55922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C17H28N4O3S2/c1-5-17(2,3)19-15(22)13-25-16-7-6-14(12-18-16)26(23,24)21-10-8-20(4)9-11-21/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,22)