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

Systemtic Name: N-(3-chlorophenyl)-3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chlorophenyl)-3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chlorophenyl)-3-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chlorophenyl)-3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C19H24ClN4O3S2+ MolecularWeight: 456.00186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O3S2/c1-23-8-10-24(11-9-23)29(26,27)17-5-6-19(21-14-17)28-12-7-18(25)22-16-4-2-3-15(20)13-16/h2-6,13-14H,7-12H2,1H3,(H,22,25)/p+1