N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-furamide Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H19NO6S/c23-21(22-16-7-8-18-19(13-16)27-11-4-10-26-18)20-15(9-12-28-20)14-29(24,25)17-5-2-1-3-6-17/h1-3,5-9,12-13H,4,10-11,14H2,(H,22,23)