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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-sulfamoylphenyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)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-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)Cl)OC1

InChI

InChI=1S/C19H20ClNO6S/c20-16-10-14(11-17-19(16)26-9-1-8-25-17)12-27-18(22)7-4-13-2-5-15(6-3-13)28(21,23)24/h2-3,5-6,10-11H,1,4,7-9,12H2,(H2,21,23,24)