(2-azanyl-2-oxidanylidene-ethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC(=O)N

InChI

InChI=1S/C18H17FN2O5S/c19-14-7-3-4-8-16(14)27(24,25)21-10-13-6-2-1-5-12(13)9-15(21)18(23)26-11-17(20)22/h1-8,15H,9-11H2,(H2,20,22)