(3-morpholin-4-ylsulfonylphenyl)methyl 2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetate CAS Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetate Traditional Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H22ClNO7S/c22-18-9-16(21-17(10-18)13-28-14-30-21)11-20(24)29-12-15-2-1-3-19(8-15)31(25,26)23-4-6-27-7-5-23/h1-3,8-10H,4-7,11-14H2