N-(3-methylbutylcarbamoyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C18H30N5O4S2+ MolecularWeight: 444.5919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H29N5O4S2/c1-14(2)6-7-19-18(25)21-16(24)13-28-17-5-4-15(12-20-17)29(26,27)23-10-8-22(3)9-11-23/h4-5,12,14H,6-11,13H2,1-3H3,(H2,19,21,24,25)/p+1