1,3-benzodioxol-5-yl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO6S/c22-20(27-16-6-9-18-19(13-16)26-14-25-18)10-5-15-3-7-17(8-4-15)28(23,24)21-11-1-2-12-21/h3-4,6-9,13H,1-2,5,10-12,14H2