(2S)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-phenyl-3-(p-tolylsulfonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-5-phenyl-1-piperonyl-4-tosyl-3-pyrrolin-3-olate Formula: C25H20NO6S- MolecularWeight: 462.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)N([C@H]2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)[O-]

InChI

InChI=1S/C25H21NO6S/c1-16-7-10-19(11-8-16)33(29,30)24-22(18-5-3-2-4-6-18)26(25(28)23(24)27)14-17-9-12-20-21(13-17)32-15-31-20/h2-13,22,27H,14-15H2,1H3/p-1/t22-/m0/s1