(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H19ClO6S MolecularWeight: 410.86856

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H19ClO6S/c20-16-11-14(12-17-19(16)25-9-4-8-24-17)13-26-18(21)7-10-27(22,23)15-5-2-1-3-6-15/h1-3,5-6,11-12H,4,7-10,13H2