dimethyl-[1-[[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]methyl]cyclohexyl]azanium Openeye Name: [1-[[4-(isopropylsulfamoyl)-2-nitro-anilino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: dimethyl-[1-[[2-nitro-4-(propan-2-ylsulfamoyl)anilino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[2-nitro-4-(propan-2-ylsulfamoyl)anilino]methyl]cyclohexyl]azanium Traditional Name: [1-[[4-(isopropylsulfamoyl)-2-nitro-anilino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2(CCCCC2)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2(CCCCC2)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-14(2)20-27(25,26)15-8-9-16(17(12-15)22(23)24)19-13-18(21(3)4)10-6-5-7-11-18/h8-9,12,14,19-20H,5-7,10-11,13H2,1-4H3/p+1