4-methylbenzenesulfonic acid; (phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-2-(4-phenylmethoxyphenyl)ethanoate Openeye Name: benzyl 2-(3-amino-2-oxo-azetidin-1-yl)-2-(4-benzyloxyphenyl)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-(3-amino-2-oxo-1-azetidinyl)-2-(4-phenylmethoxyphenyl)acetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-(3-amino-2-oxoazetidin-1-yl)-2-(4-phenylmethoxyphenyl)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-(3-amino-2-keto-azetidin-1-yl)-2-(4-benzoxyphenyl)acetic acid benzyl ester; tosylic acid Formula: C32H32N2O7S MolecularWeight: 588.67068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N2O4.C7H8O3S/c26-22-15-27(24(22)28)23(25(29)31-17-19-9-5-2-6-10-19)20-11-13-21(14-12-20)30-16-18-7-3-1-4-8-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,22-23H,15-17,26H2;2-5H,1H3,(H,8,9,10)