(3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C12H14NO4S- MolecularWeight: 268.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)[O-]

InChI

InChI=1S/C12H15NO4S/c1-2-18(16,17)13-8-10-6-4-3-5-9(10)7-11(13)12(14)15/h3-6,11H,2,7-8H2,1H3,(H,14,15)/p-1/t11-/m1/s1