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

Systemtic Name: [4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1,3-bis(p-tolyl)imidazolidin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1,3-bis(4-methylphenyl)-2-imidazolidinyl]phenyl] ester IUPAC Name: [4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[1,3-bis(p-tolyl)imidazolidin-2-yl]phenyl] ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O3S/c1-22-4-12-26(13-5-22)31-20-21-32(27-14-6-23(2)7-15-27)30(31)25-10-16-28(17-11-25)35-36(33,34)29-18-8-24(3)9-19-29/h4-19,30H,20-21H2,1-3H3