N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-(4-methyl-2-piperidinosulfonyl-phenyl)-2-(8-quinolylthio)acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O3S2/c1-17-10-11-19(21(15-17)31(28,29)26-13-3-2-4-14-26)25-22(27)16-30-20-9-5-7-18-8-6-12-24-23(18)20/h5-12,15H,2-4,13-14,16H2,1H3,(H,25,27)