N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-fluorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H24FN3O4S MolecularWeight: 445.507063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O4S/c23-19-6-3-7-20(13-19)26-15-18(12-21(26)27)22(28)24-9-11-31(29,30)25-10-8-16-4-1-2-5-17(16)14-25/h1-7,13,18H,8-12,14-15H2,(H,24,28)