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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(methylsulfonylamino)benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic 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 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H18ClNO6S/c1-27(22,23)20-15-6-3-2-5-13(15)18(21)26-11-12-9-14(19)17-16(10-12)24-7-4-8-25-17/h2-3,5-6,9-10,20H,4,7-8,11H2,1H3