N-[6-chloranyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]quinolin-5-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[6-chloranyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]quinolin-5-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinolyl]-2-phenylsulfanyl-acetamide CAS Name: N-[6-chloro-2-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-quinolinyl]-2-(phenylthio)acetamide IUPAC Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-phenylsulfanylacetamide Traditional Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidino]-5-quinolyl]-2-(phenylthio)acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]1O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O2S/c22-17-7-8-18-16(6-9-19(23-18)25-11-10-14(26)12-25)21(17)24-20(27)13-28-15-4-2-1-3-5-15/h1-9,14,26H,10-13H2,(H,24,27)/t14-/m1/s1