1,3-benzodioxol-5-yl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19NO7S/c1-24-13-4-7-15(8-5-13)28(22,23)20-10-2-3-16(20)19(21)27-14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m0/s1