7-benzamido-N-oxidanyl-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 7-benzamido-N-oxidanyl-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 7-benzamido-2-(benzenesulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 7-benzamido-2-(benzenesulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-besyl-3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)NO

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C23H21N3O5S/c27-22(16-7-3-1-4-8-16)24-19-12-11-17-14-21(23(28)25-29)26(15-18(17)13-19)32(30,31)20-9-5-2-6-10-20/h1-13,21,29H,14-15H2,(H,24,27)(H,25,28)