N-(6-methylheptan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methylheptan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-methylheptan-2-yl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-methylheptan-2-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C20H34N4O3S2 MolecularWeight: 442.63896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H34N4O3S2/c1-16(2)6-5-7-17(3)22-19(25)15-28-20-9-8-18(14-21-20)29(26,27)24-12-10-23(4)11-13-24/h8-9,14,16-17H,5-7,10-13,15H2,1-4H3,(H,22,25)