N-(4-piperidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-3-(2-quinolylsulfanyl)propanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-3-(2-quinolinylthio)propanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-3-(2-quinolylthio)propionamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S2/c27-22(14-17-30-23-13-8-18-6-2-3-7-21(18)25-23)24-19-9-11-20(12-10-19)31(28,29)26-15-4-1-5-16-26/h2-3,6-13H,1,4-5,14-17H2,(H,24,27)