(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic 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-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C22H26ClNO7S MolecularWeight: 483.96234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C22H26ClNO7S/c1-4-24(5-2)32(26,27)20-13-16(7-8-18(20)28-3)22(25)31-14-15-11-17(23)21-19(12-15)29-9-6-10-30-21/h7-8,11-13H,4-6,9-10,14H2,1-3H3