2-[4-(benzamidomethyl)thiophen-2-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(benzamidomethyl)thiophen-2-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[[5-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-3-thienyl]methyl]benzamide CAS Name: 2-[[4-(benzamidomethyl)-2-thiophenyl]sulfonyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(benzamidomethyl)thiophen-2-yl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[[5-[[3-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-3-thienyl]methyl]benzamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)CNC(=O)C4=CC=CC=C4)C(=O)NO

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)CNC(=O)C4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C22H21N3O5S2/c26-21(16-6-2-1-3-7-16)23-12-15-10-20(31-14-15)32(29,30)25-13-18-9-5-4-8-17(18)11-19(25)22(27)24-28/h1-10,14,19,28H,11-13H2,(H,23,26)(H,24,27)