[(1R,4S,6S)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(4-methoxyphenyl)-diphenyl-methyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl methanesulfonate

Systemtic Name: [(1R,4S,6S)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(4-methoxyphenyl)-diphenyl-methyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl methanesulfonate Openeye Name: [(1R,4S,6S)-4-(2,4-dioxopyrimidin-1-yl)-2-[(4-methoxyphenyl)-diphenyl-methyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1R,4S,6S)-4-(2,4-dioxo-1-pyrimidinyl)-2-[(4-methoxyphenyl)-diphenylmethyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl ester IUPAC Name: [(1R,4S,6S)-4-(2,4-dioxopyrimidin-1-yl)-2-[(4-methoxyphenyl)-diphenylmethyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1R,4S,6S)-4-(2,4-diketopyrimidin-1-yl)-2-[(4-methoxyphenyl)-diphenyl-methyl]-5-oxa-2-azabicyclo[2.2.1]heptan-6-yl]methyl ester Formula: C31H31N3O7S MolecularWeight: 589.65874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4CC5(CC4C(O5)COS(=O)(=O)C)N6C=CC(=O)NC6=O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C[C@@]5(C[C@@H]4[C@H](O5)COS(=O)(=O)C)N6C=CC(=O)NC6=O

InChI

InChI=1S/C31H31N3O7S/c1-39-25-15-13-24(14-16-25)31(22-9-5-3-6-10-22,23-11-7-4-8-12-23)34-21-30(33-18-17-28(35)32-29(33)36)19-26(34)27(41-30)20-40-42(2,37)38/h3-18,26-27H,19-21H2,1-2H3,(H,32,35,36)/t26-,27-,30+/m1/s1