N-[2-(4-methylphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-morpholinosulfonyl-N-[2-(p-tolyl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-6-(4-morpholinylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-morpholinosulfonyl-N-[2-(p-tolyl)ethyl]-2-(4-pyridyl)cinchoninamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=NC=C5

InChI

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