N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-isopentyl-6-[(4-methyl-1-piperidyl)sulfonyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-methylbutyl)-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-isoamyl-6-(4-methylpiperidino)sulfonyl-2-(4-pyridyl)cinchoninamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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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)NCCC(C)C)C4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCC(C)C)C4=CC=NC=C4

InChI

InChI=1S/C26H32N4O3S/c1-18(2)6-13-28-26(31)23-17-25(20-7-11-27-12-8-20)29-24-5-4-21(16-22(23)24)34(32,33)30-14-9-19(3)10-15-30/h4-5,7-8,11-12,16-19H,6,9-10,13-15H2,1-3H3,(H,28,31)