N-[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-oxidanyl-methanamide

Systemtic Name: N-[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-oxidanyl-methanamide Openeye Name: N-[(1S)-2-(benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-hydroxy-formamide CAS Name: N-[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-hydroxyformamide IUPAC Name: N-[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-hydroxyformamide Traditional Name: N-[(1S)-2-(benzothiophen-5-ylmethylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-hydroxy-formamide Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CS(=O)(=O)CC3=CC4=C(C=C3)SC=C4)N(C=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](CS(=O)(=O)CC3=CC4=C(C=C3)SC=C4)N(C=O)O)OC1

InChI

InChI=1S/C21H21NO6S2/c23-14-22(24)18(16-3-4-19-20(11-16)28-8-1-7-27-19)13-30(25,26)12-15-2-5-21-17(10-15)6-9-29-21/h2-6,9-11,14,18,24H,1,7-8,12-13H2/t18-/m1/s1