N-(2-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: 2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-methyl-6-piperidinosulfonyl-2-quinolyl)thio]-N-(o-tolyl)propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C

InChI

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