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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(2-quinolylthio)acetamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22ClN3O3S2/c23-18-10-9-17(31(28,29)26-12-4-1-5-13-26)14-20(18)24-21(27)15-30-22-11-8-16-6-2-3-7-19(16)25-22/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,24,27)