(3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C21H23NO7S/c23-21(17-5-6-19-20(14-17)28-10-2-9-27-19)29-15-16-3-1-4-18(13-16)30(24,25)22-7-11-26-12-8-22/h1,3-6,13-14H,2,7-12,15H2