[4-[[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[4-(diethylsulfamoyl)-2-nitroanilino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[4-(diethylsulfamoyl)-2-nitroanilino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]benzyl]-dimethyl-ammonium Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-5-23(6-2)29(27,28)18-11-12-19(20(13-18)24(25)26)21-14-16-7-9-17(10-8-16)15-22(3)4/h7-13,21H,5-6,14-15H2,1-4H3/p+1