2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H22ClFN2O3S2 MolecularWeight: 468.992383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H22ClFN2O3S2/c22-18-13-16(5-7-19(18)23)29-14-21(26)25-11-3-4-15-12-17(6-8-20(15)25)30(27,28)24-9-1-2-10-24/h5-8,12-13H,1-4,9-11,14H2