[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-oxidanylidene-1-(phenylcarbonyloxyamino)propan-2-yl] piperidine-1-carboxylate

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-oxidanylidene-1-(phenylcarbonyloxyamino)propan-2-yl] piperidine-1-carboxylate Openeye Name: [2-(benzoyloxyamino)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-oxo-ethyl] piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid [1-(benzoyloxyamino)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzoyloxyamino)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-oxopropan-2-yl] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [2-(benzoyloxyamino)-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-keto-ethyl] ester Formula: C25H29N3O7S MolecularWeight: 515.57866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)OC(CS(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)NOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)OC(CS(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)NOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O7S/c29-23(26-35-24(30)20-10-3-1-4-11-20)22(34-25(31)27-14-7-2-8-15-27)18-36(32,33)28-16-13-19-9-5-6-12-21(19)17-28/h1,3-6,9-12,22H,2,7-8,13-18H2,(H,26,29)