N-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-(2-quinolylsulfanyl)butanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-(2-quinolinylthio)butanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-(2-quinolylthio)butyramide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S2/c1-2-22(31-23-15-10-18-8-4-5-9-21(18)26-23)24(28)25-19-11-13-20(14-12-19)32(29,30)27-16-6-3-7-17-27/h4-5,8-15,22H,2-3,6-7,16-17H2,1H3,(H,25,28)