2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3,7-dimethyl-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3,7-dimethyl-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O3S2/c1-16-5-6-18-14-17(2)23(25-21(18)13-16)30-15-22(27)24-19-7-9-20(10-8-19)31(28,29)26-11-3-4-12-26/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,27)