(Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-en-2-olate Openeye Name: (Z,3S)-7-(tert-butoxycarbonylamino)-1-diazonio-3-(p-tolylsulfonylamino)hept-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-hepten-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-en-2-olate Traditional Name: (Z,3S)-7-(tert-butoxycarbonylamino)-1-diazonio-3-(tosylamino)hept-1-en-2-olate Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5S/c1-14-8-10-15(11-9-14)29(26,27)23-16(17(24)13-22-20)7-5-6-12-21-18(25)28-19(2,3)4/h8-11,13,16,23H,5-7,12H2,1-4H3,(H-,21,24,25)/b17-13-/t16-/m0/s1