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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C18H28N5O4S2+ MolecularWeight: 442.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C18H27N5O4S2/c1-22-8-10-23(11-9-22)29(26,27)15-6-7-17(19-12-15)28-13-16(24)21-18(25)20-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11,13H2,1H3,(H2,20,21,24,25)/p+1