[4-methyl-2-oxidanylidene-6-[(E)-2-[1-(phenylsulfonyl)pyrrol-2-yl]ethenyl]pyridin-1-yl] benzenesulfonate

Systemtic Name: [4-methyl-2-oxidanylidene-6-[(E)-2-[1-(phenylsulfonyl)pyrrol-2-yl]ethenyl]pyridin-1-yl] benzenesulfonate Openeye Name: [2-[(E)-2-[1-(benzenesulfonyl)pyrrol-2-yl]vinyl]-4-methyl-6-oxo-1-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-2-[1-(benzenesulfonyl)-2-pyrrolyl]ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-[1-(benzenesulfonyl)pyrrol-2-yl]ethenyl]-4-methyl-6-oxopyridin-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-2-(1-besylpyrrol-2-yl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C24H20N2O6S2 MolecularWeight: 496.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=CN2S(=O)(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O6S2/c1-19-17-21(26(24(27)18-19)32-34(30,31)23-12-6-3-7-13-23)15-14-20-9-8-16-25(20)33(28,29)22-10-4-2-5-11-22/h2-18H,1H3/b15-14+