1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-(2-quinolylthio)ethanone Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S2/c24-20(15-27-21-12-9-16-5-1-2-6-19(16)22-21)17-7-10-18(11-8-17)28(25,26)23-13-3-4-14-23/h1-2,5-12H,3-4,13-15H2