N-methyl-4-oxidanylidene-N-(phenylmethyl)-6-(2-pyridin-3-ylpiperidin-1-yl)sulfonyl-1H-quinoline-3-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-(phenylmethyl)-6-(2-pyridin-3-ylpiperidin-1-yl)sulfonyl-1H-quinoline-3-carboxamide Openeye Name: N-benzyl-N-methyl-4-oxo-6-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]-1H-quinoline-3-carboxamide CAS Name: N-methyl-4-oxo-N-(phenylmethyl)-6-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]-1H-quinoline-3-carboxamide IUPAC Name: N-benzyl-N-methyl-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)sulfonyl-1H-quinoline-3-carboxamide Traditional Name: N-benzyl-4-keto-N-methyl-6-[2-(3-pyridyl)piperidino]sulfonyl-1H-quinoline-3-carboxamide Formula: C28H28N4O4S MolecularWeight: 516.61132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCC4C5=CN=CC=C5

InChI

InChI=1S/C28H28N4O4S/c1-31(19-20-8-3-2-4-9-20)28(34)24-18-30-25-13-12-22(16-23(25)27(24)33)37(35,36)32-15-6-5-11-26(32)21-10-7-14-29-17-21/h2-4,7-10,12-14,16-18,26H,5-6,11,15,19H2,1H3,(H,30,33)