[1-[3,3-dimethyl-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-2-yl]-2-phenyl-ethyl] benzoate

Systemtic Name: [1-[3,3-dimethyl-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-2-yl]-2-phenyl-ethyl] benzoate Openeye Name: [1-[3,3-dimethyl-4-oxo-1-(p-tolylsulfonyl)azetidin-2-yl]-2-phenyl-ethyl] benzoate CAS Name: benzoic acid [1-[3,3-dimethyl-1-(4-methylphenyl)sulfonyl-4-oxo-2-azetidinyl]-2-phenylethyl] ester IUPAC Name: [1-[3,3-dimethyl-1-(4-methylphenyl)sulfonyl-4-oxoazetidin-2-yl]-2-phenylethyl] benzoate Traditional Name: benzoic acid [1-(4-keto-3,3-dimethyl-1-tosyl-azetidin-2-yl)-2-phenyl-ethyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)(C)C)C(CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)(C)C)C(CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO5S/c1-19-14-16-22(17-15-19)34(31,32)28-24(27(2,3)26(28)30)23(18-20-10-6-4-7-11-20)33-25(29)21-12-8-5-9-13-21/h4-17,23-24H,18H2,1-3H3