N-(4-piperidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-3-[(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)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S2/c1-18-15-20(3)26-23(16-18)19(2)17-25(28-26)33-14-11-24(30)27-21-7-9-22(10-8-21)34(31,32)29-12-5-4-6-13-29/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,27,30)