[4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl]methyl ester IUPAC Name: [4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S/c1-13-7-9-15(10-8-13)28(24,25)27-11-16-18(19(23)20-16)21-17(22)12-26-14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3,(H,20,23)(H,21,22)