N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H20BrNO5S/c1-20(12-13-10-14(19)4-6-16(13)23-2)26(21,22)15-5-7-17-18(11-15)25-9-3-8-24-17/h4-7,10-11H,3,8-9,12H2,1-2H3