[(2S)-1-[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]-4-methyl-pentan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]-4-methyl-pentan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]-3-methyl-butyl]-dimethyl-ammonium CAS Name: [(2S)-1-[4-(diethylsulfamoyl)-2-nitroanilino]-4-methylpentan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[4-(diethylsulfamoyl)-2-nitroanilino]-4-methylpentan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]-3-methyl-butyl]-dimethyl-ammonium Formula: C18H33N4O4S+ MolecularWeight: 401.54402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC[C@H](CC(C)C)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H32N4O4S/c1-7-21(8-2)27(25,26)16-9-10-17(18(12-16)22(23)24)19-13-15(20(5)6)11-14(3)4/h9-10,12,14-15,19H,7-8,11,13H2,1-6H3/p+1/t15-/m0/s1