[2,3-bis(chloranyl)phenyl] (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2,3-bis(chloranyl)phenyl] (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2,3-dichlorophenyl) (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2,3-dichlorophenyl) ester Formula: C18H17Cl2NO4S MolecularWeight: 414.30288

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)OC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO4S/c1-2-26(23,24)21-11-13-7-4-3-6-12(13)10-15(21)18(22)25-16-9-5-8-14(19)17(16)20/h3-9,15H,2,10-11H2,1H3/t15-/m1/s1