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

Systemtic Name: N-(3-methylphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide Openeye Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-4-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylbutanamide Traditional Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-(m-tolyl)butyramide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O3S2/c1-17-5-3-6-18(15-17)23-20(26)7-4-14-29-21-9-8-19(16-22-21)30(27,28)25-12-10-24(2)11-13-25/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3,(H,23,26)/p+1