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

Systemtic Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-[benzyl(methyl)amino]ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[2-[benzyl(methyl)amino]ethyl]-6-(4-methylpiperidino)sulfonyl-2-(2-pyridyl)cinchoninamide Formula: C31H35N5O3S MolecularWeight: 557.7063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN(C)CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN(C)CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)