2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O3S2/c1-16-14-22(23-20-7-3-2-6-19(16)20)28-15-21(25)17-8-10-18(11-9-17)29(26,27)24-12-4-5-13-24/h2-3,6-11,14H,4-5,12-13,15H2,1H3