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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-chloro-2,5-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=CC(=C(C=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC)Cl

InChI

InChI=1S/C17H18ClNO6S/c1-22-15-10-13(16(23-2)9-12(15)18)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