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

Systemtic Name: diethyl-[(2S)-4-methyl-1-[(2-nitro-4-sulfamoyl-phenyl)amino]pentan-2-yl]azanium Openeye Name: diethyl-[(1S)-3-methyl-1-[(2-nitro-4-sulfamoyl-anilino)methyl]butyl]ammonium CAS Name: diethyl-[(2S)-4-methyl-1-(2-nitro-4-sulfamoylanilino)pentan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-4-methyl-1-(2-nitro-4-sulfamoylanilino)pentan-2-yl]azanium Traditional Name: diethyl-[(1S)-3-methyl-1-[(2-nitro-4-sulfamoyl-anilino)methyl]butyl]ammonium Formula: C16H29N4O4S+ MolecularWeight: 373.49086

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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)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O4S/c1-5-19(6-2)13(9-12(3)4)11-18-15-8-7-14(25(17,23)24)10-16(15)20(21)22/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3,(H2,17,23,24)/p+1/t13-/m0/s1