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

Systemtic Name: diethyl-[(2S)-4-methyl-1-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]pentan-2-yl]azanium Openeye Name: diethyl-[(1S)-3-methyl-1-[[4-(methylsulfamoyl)-2-nitro-anilino]methyl]butyl]ammonium CAS Name: diethyl-[(2S)-4-methyl-1-[4-(methylsulfamoyl)-2-nitroanilino]pentan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-4-methyl-1-[4-(methylsulfamoyl)-2-nitroanilino]pentan-2-yl]azanium Traditional Name: diethyl-[(1S)-3-methyl-1-[[4-(methylsulfamoyl)-2-nitro-anilino]methyl]butyl]ammonium Formula: C17H31N4O4S+ MolecularWeight: 387.51744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O4S/c1-6-20(7-2)14(10-13(3)4)12-19-16-9-8-15(26(24,25)18-5)11-17(16)21(22)23/h8-9,11,13-14,18-19H,6-7,10,12H2,1-5H3/p+1/t14-/m0/s1