1-[6-ethoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-ethoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-ethoxy-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-4-carboxamide CAS Name: 1-[6-ethoxy-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-ethoxy-3-tosyl-4-quinolyl)isonipecotamide Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H27N3O4S/c1-3-31-18-6-9-21-20(14-18)23(27-12-10-17(11-13-27)24(25)28)22(15-26-21)32(29,30)19-7-4-16(2)5-8-19/h4-9,14-15,17H,3,10-13H2,1-2H3,(H2,25,28)