N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(2-quinolylthio)acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S2/c1-17-9-11-19(31(28,29)26-13-5-2-6-14-26)15-21(17)24-22(27)16-30-23-12-10-18-7-3-4-8-20(18)25-23/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,27)