N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(4-methylpiperazino)sulfonylphenyl]-2-(3-pyridyl)cinchoninamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H25N5O3S/c1-30-13-15-31(16-14-30)35(33,34)21-10-8-20(9-11-21)28-26(32)23-17-25(19-5-4-12-27-18-19)29-24-7-3-2-6-22(23)24/h2-12,17-18H,13-16H2,1H3,(H,28,32)