N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[2-[butyl(methyl)amino]ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-[butyl(methyl)amino]ethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidino)sulfonyl-2-(3-pyridyl)cinchoninamide Formula: C28H37N5O3S MolecularWeight: 523.69008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CN=CC=C4

Isomeric SMILES

CCCCN(C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CN=CC=C4

InChI

InChI=1S/C28H37N5O3S/c1-4-5-14-32(3)17-13-30-28(34)25-19-27(22-7-6-12-29-20-22)31-26-9-8-23(18-24(25)26)37(35,36)33-15-10-21(2)11-16-33/h6-9,12,18-21H,4-5,10-11,13-17H2,1-3H3,(H,30,34)