2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-1-(5-methyl-2-thienyl)ethanone Formula: C17H22N3O3S3+ MolecularWeight: 412.56988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H21N3O3S3/c1-13-3-5-16(25-13)15(21)12-24-17-6-4-14(11-18-17)26(22,23)20-9-7-19(2)8-10-20/h3-6,11H,7-10,12H2,1-2H3/p+1