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

Systemtic Name: N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(phenylsulfonyl)pyridin-1-ium-1-carboximidamide Openeye Name: N'-(benzenesulfonyl)-N-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine CAS Name: N'-(benzenesulfonyl)-N-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-4-(dimethylamino)-1-pyridin-1-iumcarboximidamide IUPAC Name: N'-(benzenesulfonyl)-N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide Traditional Name: N'-besyl-N-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine Formula: C21H22ClN4O4S3+ MolecularWeight: 526.07178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NS(=O)(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NS(=O)(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H21ClN4O4S3/c1-15-13-20(19(31)14-18(15)22)33(29,30)24-21(26-11-9-16(10-12-26)25(2)3)23-32(27,28)17-7-5-4-6-8-17/h4-14H,1-3H3,(H-,23,24,31)/p+1