(E)-N-oxidanyl-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide

Systemtic Name: (E)-N-oxidanyl-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide Openeye Name: (E)-3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enehydroxamic acid CAS Name: (E)-3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxy-2-propenamide IUPAC Name: (E)-3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxyprop-2-enamide Traditional Name: (E)-3-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enehydroxamic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C=CC(=O)NO)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c21-18(19-22)9-7-14-6-8-15-10-11-20(13-16(15)12-14)25(23,24)17-4-2-1-3-5-17/h1-9,12,22H,10-11,13H2,(H,19,21)/b9-7+