2-(4-methylphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)quinoline-4-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(p-tolyl)cinchoninamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

InChI

InChI=1S/C29H29N3O3S/c1-20-10-13-22(14-11-20)28-19-25(24-8-4-5-9-26(24)30-28)29(33)31-27-18-23(15-12-21(27)2)36(34,35)32-16-6-3-7-17-32/h4-5,8-15,18-19H,3,6-7,16-17H2,1-2H3,(H,31,33)