N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

InChI

InChI=1S/C25H29N3O3S2/c1-16-13-18(3)24-22(14-16)17(2)15-23(27-24)32-19(4)25(29)26-20-7-9-21(10-8-20)33(30,31)28-11-5-6-12-28/h7-10,13-15,19H,5-6,11-12H2,1-4H3,(H,26,29)