(E,3S,4S)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-pent-1-ene-1-diazonium

Systemtic Name: (E,3S,4S)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-pent-1-ene-1-diazonium Openeye Name: (E,3S,4S)-2-hydroxy-3-methyl-4-(p-tolylsulfonylamino)pent-1-ene-1-diazonium CAS Name: (E,3S,4S)-2-hydroxy-3-methyl-4-[(4-methylphenyl)sulfonylamino]-1-pentene-1-diazonium IUPAC Name: (E,3S,4S)-2-hydroxy-3-methyl-4-[(4-methylphenyl)sulfonylamino]pent-1-ene-1-diazonium Traditional Name: (E,3S,4S)-2-hydroxy-3-methyl-4-(tosylamino)pent-1-ene-1-diazonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-9-4-6-12(7-5-9)20(18,19)16-11(3)10(2)13(17)8-15-14/h4-8,10-11,16H,1-3H3/p+1/b13-8+/t10-,11-/m0/s1