[(3S)-oxolan-3-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: [(3S)-oxolan-3-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: [(3S)-tetrahydrofuran-3-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid [(3S)-3-oxolanyl] ester IUPAC Name: [(3S)-oxolan-3-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid [(3S)-tetrahydrofuran-3-yl] ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC(=O)N2CCC(CC2)(CS(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NO

Isomeric SMILES

C1COC[C@H]1OC(=O)N2CCC(CC2)(CS(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NO

InChI

InChI=1S/C21H29N3O7S/c25-19(22-27)21(7-10-23(11-8-21)20(26)31-18-6-12-30-14-18)15-32(28,29)24-9-5-16-3-1-2-4-17(16)13-24/h1-4,18,27H,5-15H2,(H,22,25)/t18-/m0/s1