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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

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