(E)-1-[bis(phenylmethyl)amino]-2-diazonio-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-prop-1-en-1-olate

Systemtic Name: (E)-1-[bis(phenylmethyl)amino]-2-diazonio-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-prop-1-en-1-olate Openeye Name: (E)-2-diazonio-1-(dibenzylamino)-3-phenyl-3-(p-tolylsulfonylamino)prop-1-en-1-olate CAS Name: (E)-1-[bis(phenylmethyl)amino]-2-diazonio-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-1-propen-1-olate IUPAC Name: (E)-2-diazonio-1-(dibenzylamino)-3-[(4-methylphenyl)sulfonylamino]-3-phenylprop-1-en-1-olate Traditional Name: (E)-2-diazonio-1-(dibenzylamino)-3-phenyl-3-(tosylamino)prop-1-en-1-olate Formula: C30H28N4O3S MolecularWeight: 524.63332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=C(N(CC3=CC=CC=C3)CC4=CC=CC=C4)[O-])[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)/C(=C(/N(CC3=CC=CC=C3)CC4=CC=CC=C4)\[O-])/[N+]#N

InChI

InChI=1S/C30H28N4O3S/c1-23-17-19-27(20-18-23)38(36,37)33-28(26-15-9-4-10-16-26)29(32-31)30(35)34(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-20,28,33H,21-22H2,1H3/b30-29+