[4-[1,3-bis-(4-methylphenyl)sulfonylimidazolidin-2-yl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[1,3-bis-(4-methylphenyl)sulfonylimidazolidin-2-yl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1,3-bis(p-tolylsulfonyl)imidazolidin-2-yl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1,3-bis-(4-methylphenyl)sulfonyl-2-imidazolidinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[1,3-bis-(4-methylphenyl)sulfonylimidazolidin-2-yl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1,3-ditosylimidazolidin-2-yl)-2-methoxy-phenyl] ester Formula: C31H32N2O8S3 MolecularWeight: 656.78938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OC)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OC)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H32N2O8S3/c1-22-5-12-26(13-6-22)42(34,35)32-19-20-33(43(36,37)27-14-7-23(2)8-15-27)31(32)25-11-18-29(30(21-25)40-4)41-44(38,39)28-16-9-24(3)10-17-28/h5-18,21,31H,19-20H2,1-4H3