[3-[1-ethenyl-4-oxidanylidene-5-[3-(5-phenylpentylsulfinyl)phenyl]pyridin-3-yl]-5-methylsulfonyloxy-phenyl] methanesulfonate

Systemtic Name: [3-[1-ethenyl-4-oxidanylidene-5-[3-(5-phenylpentylsulfinyl)phenyl]pyridin-3-yl]-5-methylsulfonyloxy-phenyl] methanesulfonate Openeye Name: [3-methylsulfonyloxy-5-[4-oxo-5-[3-(5-phenylpentylsulfinyl)phenyl]-1-vinyl-3-pyridyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[1-ethenyl-4-oxo-5-[3-(5-phenylpentylsulfinyl)phenyl]-3-pyridinyl]-5-methylsulfonyloxyphenyl] ester IUPAC Name: [3-[1-ethenyl-4-oxo-5-[3-(5-phenylpentylsulfinyl)phenyl]pyridin-3-yl]-5-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-keto-5-[3-(5-phenylpentylsulfinyl)phenyl]-1-vinyl-3-pyridyl]-5-methylsulfonyloxy-phenyl] ester Formula: C32H33NO8S3 MolecularWeight: 655.80132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)CCCCCC4=CC=CC=C4)C=C)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)CCCCCC4=CC=CC=C4)C=C)OS(=O)(=O)C

InChI

InChI=1S/C32H33NO8S3/c1-4-33-22-30(25-15-11-16-29(20-25)42(35)17-10-6-9-14-24-12-7-5-8-13-24)32(34)31(23-33)26-18-27(40-43(2,36)37)21-28(19-26)41-44(3,38)39/h4-5,7-8,11-13,15-16,18-23H,1,6,9-10,14,17H2,2-3H3