N-(2,4-dimethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(2,4-dimethylphenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C)C

InChI

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