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

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 6-(4-methylpiperidino)sulfonyl-2-(3-pyridyl)-N-(3-pyridylmethyl)cinchoninamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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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)NCC4=CN=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CN=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H27N5O3S/c1-19-8-12-32(13-9-19)36(34,35)22-6-7-25-23(14-22)24(15-26(31-25)21-5-3-11-29-18-21)27(33)30-17-20-4-2-10-28-16-20/h2-7,10-11,14-16,18-19H,8-9,12-13,17H2,1H3,(H,30,33)