6-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(p-tolylmethyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(4-methylphenyl)methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(4-methylbenzyl)-2-(3-pyridyl)cinchoninamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CN=CC=C5

InChI

InChI=1S/C29H30N4O3S/c1-21-8-10-22(11-9-21)19-31-29(34)26-18-28(23-7-6-14-30-20-23)32-27-13-12-24(17-25(26)27)37(35,36)33-15-4-2-3-5-16-33/h6-14,17-18,20H,2-5,15-16,19H2,1H3,(H,31,34)