[(1S,2S)-2-(1,3-benzodioxol-5-ylcarbamoyloxymethyl)cyclopropyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-(1,3-benzodioxol-5-ylcarbamoyloxymethyl)cyclopropyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-(1,3-benzodioxol-5-ylcarbamoyloxymethyl)cyclopropyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethoxy]methyl]cyclopropyl]methyl ester IUPAC Name: [(1S,2S)-2-(1,3-benzodioxol-5-ylcarbamoyloxymethyl)cyclopropyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(1,3-benzodioxol-5-ylcarbamoyloxymethyl)cyclopropyl]methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC2COC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C[C@@H]2COC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO7S/c1-13-2-5-17(6-3-13)29(23,24)28-11-15-8-14(15)10-25-20(22)21-16-4-7-18-19(9-16)27-12-26-18/h2-7,9,14-15H,8,10-12H2,1H3,(H,21,22)/t14-,15-/m1/s1