N-(1-oxidanylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1-oxidanylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[1-(hydroxymethyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1-hydroxybutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-hydroxybutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-methylolpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(CO)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H19NO5S/c1-2-10(9-15)14-20(16,17)11-4-5-12-13(8-11)19-7-3-6-18-12/h4-5,8,10,14-15H,2-3,6-7,9H2,1H3