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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

InChI

InChI=1S/C25H29N3O3S2/c1-4-19-9-5-6-10-22(19)27-25(29)18(3)32-24-15-17(2)21-16-20(11-12-23(21)26-24)33(30,31)28-13-7-8-14-28/h5-6,9-12,15-16,18H,4,7-8,13-14H2,1-3H3,(H,27,29)