N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2-ethyl-3-benzofuranyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO5S/c1-3-18-17(16-7-4-5-8-19(16)27-18)14-22(2)28(23,24)15-9-10-20-21(13-15)26-12-6-11-25-20/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3