(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic 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-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H20ClNO7S/c21-17-10-14(11-18-19(17)28-9-8-27-18)13-29-20(23)15-2-1-3-16(12-15)30(24,25)22-4-6-26-7-5-22/h1-3,10-12H,4-9,13H2