N-(2-chloranyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-chloranyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-chloro-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(2-chloro-4,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-chloro-4,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-chloro-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H18ClNO6S MolecularWeight: 399.84592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl)OC

InChI

InChI=1S/C17H18ClNO6S/c1-22-15-9-12(18)13(10-16(15)23-2)19-26(20,21)11-4-5-14-17(8-11)25-7-3-6-24-14/h4-5,8-10,19H,3,6-7H2,1-2H3