N-(3-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)propanamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(2-quinolinylthio)propanamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(2-quinolylthio)propionamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4C=C3

InChI

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