N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(4-methylphenyl)sulfonyl-pyridin-1-ium-1-carboximidamide

Systemtic Name: N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(4-methylphenyl)sulfonyl-pyridin-1-ium-1-carboximidamide Openeye Name: N-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(p-tolylsulfonyl)pyridin-1-ium-1-carboxamidine CAS Name: N-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-4-(dimethylamino)-N'-(4-methylphenyl)sulfonyl-1-pyridin-1-iumcarboximidamide IUPAC Name: N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-4-(dimethylamino)-N'-(4-methylphenyl)sulfonylpyridin-1-ium-1-carboximidamide Traditional Name: N-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-4-(dimethylamino)-N'-tosyl-pyridin-1-ium-1-carboxamidine Formula: C22H24ClN4O4S3+ MolecularWeight: 540.09836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H23ClN4O4S3/c1-15-5-7-18(8-6-15)33(28,29)24-22(27-11-9-17(10-12-27)26(3)4)25-34(30,31)21-13-16(2)19(23)14-20(21)32/h5-14H,1-4H3,(H-,24,25,32)/p+1