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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)22-29(27,28)17-10-11-18(19(12-17)24(25)26)21-13-15-8-6-7-9-16(15)14-23(4)5/h6-12,21-22H,13-14H2,1-5H3/p+1