N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(8-quinolylsulfonyl)isonipecotamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-29-19-8-3-7-18(15-19)24-22(26)17-10-13-25(14-11-17)30(27,28)20-9-2-5-16-6-4-12-23-21(16)20/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,24,26)