(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

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