N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-11-24-17-7-5-16(6-8-17)15-21(2)27(22,23)18-9-10-19-20(14-18)26-13-4-12-25-19/h3,5-10,14H,1,4,11-13,15H2,2H3