[4-[5-methyl-6-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)pyridin-3-yl]phenyl] methanesulfonate

Systemtic Name: [4-[5-methyl-6-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)pyridin-3-yl]phenyl] methanesulfonate Openeye Name: [4-[6-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-5-methyl-3-pyridyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[5-methyl-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)-3-pyridinyl]phenyl] ester IUPAC Name: [4-[5-methyl-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)pyridin-3-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-(4-benzoxy-3-methylsulfonyloxy-phenyl)-5-methyl-3-pyridyl]phenyl] ester Formula: C27H25NO7S2 MolecularWeight: 539.6199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CC1=C(N=CC(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C27H25NO7S2/c1-19-15-23(21-9-12-24(13-10-21)34-36(2,29)30)17-28-27(19)22-11-14-25(26(16-22)35-37(3,31)32)33-18-20-7-5-4-6-8-20/h4-17H,18H2,1-3H3