dimethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)C(=O)OC

InChI

InChI=1S/C22H23NO8S/c1-28-21(24)15-10-16(22(25)29-2)12-17(11-15)32(26,27)23-7-3-4-18(23)14-5-6-19-20(13-14)31-9-8-30-19/h5-6,10-13,18H,3-4,7-9H2,1-2H3/t18-/m0/s1