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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C20H26ClN4O4S2+ MolecularWeight: 486.02784

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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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S2/c1-24-8-10-25(11-9-24)31(27,28)16-4-6-20(22-14-16)30-12-7-19(26)23-17-13-15(21)3-5-18(17)29-2/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)/p+1