N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

InChI

InChI=1S/C26H31N3O3S2/c1-17-14-19(3)25-23(15-17)18(2)16-24(28-25)33-20(4)26(30)27-21-8-10-22(11-9-21)34(31,32)29-12-6-5-7-13-29/h8-11,14-16,20H,5-7,12-13H2,1-4H3,(H,27,30)