(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H24ClNO6S/c23-19-13-17(14-20-22(19)29-12-11-28-20)15-30-21(25)8-5-16-3-6-18(7-4-16)31(26,27)24-9-1-2-10-24/h3-4,6-7,13-14H,1-2,5,8-12,15H2