(E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid

Systemtic Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Openeye Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: (E,3E)-3-diazo-1-diazonio-1-propen-2-olate; (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: (E,3E)-3-diazo-1-diazonioprop-1-en-2-olate; (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; (2S)-4-methyl-2-(tosylamino)valeric acid Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O.C(=C(C=[N+]=[N-])[O-])[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)O.C(=C(\C=[N+]=[N-])/[O-])\[N+]#N

InChI

InChI=1S/C13H19NO4S.C3H2N4O/c1-9(2)8-12(13(15)16)14-19(17,18)11-6-4-10(3)5-7-11;4-6-1-3(8)2-7-5/h4-7,9,12,14H,8H2,1-3H3,(H,15,16);1-2H/b;3-1+/t12-;/m0./s1