N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 5-(benzenesulfonylmethyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)furan-2-carboxamide CAS Name: 5-(benzenesulfonylmethyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-furancarboxamide IUPAC Name: 5-(benzenesulfonylmethyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)furan-2-carboxamide Traditional Name: 5-(besylmethyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-furamide Formula: C21H18ClNO6S MolecularWeight: 447.88872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H18ClNO6S/c22-16-11-19-20(28-10-4-9-27-19)12-17(16)23-21(24)18-8-7-14(29-18)13-30(25,26)15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10,13H2,(H,23,24)