5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride

Systemtic Name: 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Openeye Name: 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride CAS Name: 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-[2-(1-pyridin-1-iumyl)ethyl]benzenesulfonamide chloride IUPAC Name: 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Traditional Name: 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride Formula: C25H33ClN6O4S2 MolecularWeight: 581.15032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H33N6O4S2.ClH/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30;/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3;1H/q+1;/p-1