N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H20ClNO6S MolecularWeight: 413.8725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C18H20ClNO6S/c1-23-15-5-4-13(10-16(15)24-2)27(21,22)20-11-12-8-14(19)18-17(9-12)25-6-3-7-26-18/h4-5,8-10,20H,3,6-7,11H2,1-2H3