(3R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(benzothiophen-5-ylmethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(benzothiophen-5-ylmethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC4=C(C=C3)SC=C4)C(=O)NO

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC4=C(C=C3)SC=C4)C(=O)NO

InChI

InChI=1S/C19H18N2O4S2/c22-19(20-23)17-10-14-3-1-2-4-16(14)11-21(17)27(24,25)12-13-5-6-18-15(9-13)7-8-26-18/h1-9,17,23H,10-12H2,(H,20,22)/t17-/m1/s1