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

Systemtic Name: N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(4-nitrophenyl)sulfonyl-pyridin-1-ium-1-carboximidamide Openeye Name: N-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)-N'-(4-nitrophenyl)sulfonyl-pyridin-1-ium-1-carboxamidine CAS Name: N-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-4-(dimethylamino)-N'-(4-nitrophenyl)sulfonyl-1-pyridin-1-iumcarboximidamide IUPAC Name: N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-4-(dimethylamino)-N'-(4-nitrophenyl)sulfonylpyridin-1-ium-1-carboximidamide Traditional Name: N-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-4-(dimethylamino)-N'-nosyl-pyridin-1-ium-1-carboxamidine Formula: C21H21ClN5O6S3+ MolecularWeight: 571.06934

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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=C(C=C2)[N+](=O)[O-])[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=C(C=C2)[N+](=O)[O-])[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H20ClN5O6S3/c1-14-12-20(19(34)13-18(14)22)36(32,33)24-21(26-10-8-15(9-11-26)25(2)3)23-35(30,31)17-6-4-16(5-7-17)27(28)29/h4-13H,1-3H3,(H-,23,24,34)/p+1