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

Systemtic Name: N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[2-(methoxymethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(methoxymethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COCC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21NO5S/c1-22-13-15-6-3-2-5-14(15)12-19-25(20,21)16-7-8-17-18(11-16)24-10-4-9-23-17/h2-3,5-8,11,19H,4,9-10,12-13H2,1H3