N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-3-[(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)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c1-17-14-19(3)25-22(15-17)18(2)16-24(27-25)32-13-10-23(29)26-20-6-8-21(9-7-20)33(30,31)28-11-4-5-12-28/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,29)