[(1R)-2-oxidanylidenecyclopentyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclopentyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [(1R)-2-oxocyclopentyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-2-oxocyclopentyl] ester IUPAC Name: [(1R)-2-oxocyclopentyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-2-ketocyclopentyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@H](C(=O)C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21NO5S/c23-19-9-4-10-20(19)27-21(24)16-7-3-8-18(13-16)28(25,26)22-12-11-15-5-1-2-6-17(15)14-22/h1-3,5-8,13,20H,4,9-12,14H2/t20-/m1/s1