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

Systemtic Name: N-(4-ethanoylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]propionamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SC(C)C(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3)SC(C)C(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H27N3O4S2/c1-16-14-24(33-18(3)25(30)26-20-8-6-19(7-9-20)17(2)29)27-23-11-10-21(15-22(16)23)34(31,32)28-12-4-5-13-28/h6-11,14-15,18H,4-5,12-13H2,1-3H3,(H,26,30)