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

Systemtic Name: N-(4-chloranyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide Openeye Name: N'-(4-chlorophenyl)sulfonyl-N-(4-chloro-2-sulfanyl-phenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine CAS Name: N-(4-chloro-2-mercaptophenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)-1-pyridin-1-iumcarboximidamide IUPAC Name: N'-(4-chlorophenyl)sulfonyl-N-(4-chloro-2-sulfanylphenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide Traditional Name: N-(4-chloro-2-mercapto-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine Formula: C20H19Cl2N4O4S3+ MolecularWeight: 546.49026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N4O4S3/c1-25(2)16-9-11-26(12-10-16)20(23-32(27,28)17-6-3-14(21)4-7-17)24-33(29,30)19-8-5-15(22)13-18(19)31/h3-13H,1-2H3,(H-,23,24,31)/p+1