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

Systemtic Name: dimethyl-[(2S)-4-methyl-1-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1S)-3-methyl-1-[[4-(methylsulfamoyl)-2-nitro-anilino]methyl]butyl]ammonium CAS Name: dimethyl-[(2S)-4-methyl-1-[4-(methylsulfamoyl)-2-nitroanilino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-4-methyl-1-[4-(methylsulfamoyl)-2-nitroanilino]pentan-2-yl]azanium Traditional Name: dimethyl-[(1S)-3-methyl-1-[[4-(methylsulfamoyl)-2-nitro-anilino]methyl]butyl]ammonium Formula: C15H27N4O4S+ MolecularWeight: 359.46428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CC(C)C[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C15H26N4O4S/c1-11(2)8-12(18(4)5)10-17-14-7-6-13(24(22,23)16-3)9-15(14)19(20)21/h6-7,9,11-12,16-17H,8,10H2,1-5H3/p+1/t12-/m0/s1