methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-25-20(22)14-4-7-16(8-5-14)28(23,24)21-10-2-3-17(21)15-6-9-18-19(13-15)27-12-11-26-18/h4-9,13,17H,2-3,10-12H2,1H3/t17-/m0/s1