[(3R,4R)-1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,4R)-1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenyl-azetidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-azetidinyl] ester IUPAC Name: [(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4R)-2-keto-1-(4-methoxyphenyl)-4-phenyl-azetidin-3-yl] ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO5S/c1-16-8-14-20(15-9-16)30(26,27)29-22-21(17-6-4-3-5-7-17)24(23(22)25)18-10-12-19(28-2)13-11-18/h3-15,21-22H,1-2H3/t21-,22-/m1/s1