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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C20H25NO6S/c1-4-25-17-8-6-15(12-19(17)24-3)14-21(2)28(22,23)16-7-9-18-20(13-16)27-11-5-10-26-18/h6-9,12-13H,4-5,10-11,14H2,1-3H3