N-oxidanyl-2-(2-pyridin-4-ylethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-oxidanyl-2-(2-pyridin-4-ylethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(4-pyridyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: N-hydroxy-2-(2-pyridin-4-ylethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-hydroxy-2-(2-pyridin-4-ylethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(4-pyridyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=NC=C3)C(=O)NO

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=NC=C3)C(=O)NO

InChI

InChI=1S/C17H19N3O4S/c21-17(19-22)16-11-14-3-1-2-4-15(14)12-20(16)25(23,24)10-7-13-5-8-18-9-6-13/h1-6,8-9,16,22H,7,10-12H2,(H,19,21)