N,N-diethyl-2-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N,N-diethyl-2-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide Openeye Name: N,N-diethyl-2-oxo-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide CAS Name: N,N-diethyl-2-oxo-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N,N-diethyl-2-oxo-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: N,N-diethyl-2-keto-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1H-quinoline-6-sulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O4S/c1-3-28(4-2)33(31,32)16-6-7-19-17(14-16)18(15-20(29)25-19)21(30)26-10-12-27(13-11-26)22-23-8-5-9-24-22/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,29)