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

Systemtic Name: [(1R)-1-cyanoethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H17ClN2O4S/c1-13(11-21)26-19(23)15-6-7-17(20)18(10-15)27(24,25)22-9-8-14-4-2-3-5-16(14)12-22/h2-7,10,13H,8-9,12H2,1H3/t13-/m1/s1