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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(isoquinolin-3-ylmethylsulfonyl)ethyl]-N-oxidanyl-methanamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-isoquinolylmethylsulfonyl)ethyl]-N-hydroxy-formamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-isoquinolinylmethylsulfonyl)ethyl]-N-hydroxyformamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(isoquinolin-3-ylmethylsulfonyl)ethyl]-N-hydroxyformamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-isoquinolylmethylsulfonyl)ethyl]-N-hydroxy-formamide Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CS(=O)(=O)CC3=CC4=CC=CC=C4C=N3)N(C=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](CS(=O)(=O)CC3=CC4=CC=CC=C4C=N3)N(C=O)O)OC1

InChI

InChI=1S/C22H22N2O6S/c25-15-24(26)20(17-6-7-21-22(11-17)30-9-3-8-29-21)14-31(27,28)13-19-10-16-4-1-2-5-18(16)12-23-19/h1-2,4-7,10-12,15,20,26H,3,8-9,13-14H2/t20-/m1/s1