[N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-nitrophenyl)sulfonyl-carbamimidoyl]-triethyl-azanium

Systemtic Name: [N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-nitrophenyl)sulfonyl-carbamimidoyl]-triethyl-azanium Openeye Name: [N-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-nitrophenyl)sulfonyl-carbamimidoyl]-triethyl-ammonium CAS Name: [[(4-chloro-2-mercapto-5-methylphenyl)sulfonylamino]-(4-nitrophenyl)sulfonyliminomethyl]-triethylammonium IUPAC Name: [N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-N'-(4-nitrophenyl)sulfonylcarbamimidoyl]-triethylazanium Traditional Name: [N-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-N'-nosyl-amidino]-triethyl-ammonium Formula: C20H26ClN4O6S3+ MolecularWeight: 550.09164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O6S3/c1-5-25(6-2,7-3)20(22-33(28,29)16-10-8-15(9-11-16)24(26)27)23-34(30,31)19-12-14(4)17(21)13-18(19)32/h8-13H,5-7H2,1-4H3,(H-,22,23,32)/p+1