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

Systemtic Name: N-heptan-2-yl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-methylhexyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-heptan-2-yl-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-methylhexyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C19H32N4O3S2 MolecularWeight: 428.61238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O3S2/c1-4-5-6-7-16(2)21-18(24)15-27-19-9-8-17(14-20-19)28(25,26)23-12-10-22(3)11-13-23/h8-9,14,16H,4-7,10-13,15H2,1-3H3,(H,21,24)