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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O3S2/c1-15(2)5-6-16(3)21-18(24)14-27-19-8-7-17(13-20-19)28(25,26)23-11-9-22(4)10-12-23/h7-8,13,15-16H,5-6,9-12,14H2,1-4H3,(H,21,24)