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

Systemtic Name: dimethyl-[[4-[[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]methyl]phenyl]methyl]azanium Openeye Name: [4-[[4-(isopropylsulfamoyl)-2-nitro-anilino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[4-[[2-nitro-4-(propan-2-ylsulfamoyl)anilino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[2-nitro-4-(propan-2-ylsulfamoyl)anilino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[4-(isopropylsulfamoyl)-2-nitro-anilino]methyl]benzyl]-dimethyl-ammonium Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-14(2)21-28(26,27)17-9-10-18(19(11-17)23(24)25)20-12-15-5-7-16(8-6-15)13-22(3)4/h5-11,14,20-21H,12-13H2,1-4H3/p+1