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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(p-tolyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-(p-tolyl)ethyl]-2-(3-pyridyl)cinchoninamide Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O3S/c1-22-8-10-23(11-9-22)14-16-32-30(35)27-20-29(24-7-6-15-31-21-24)33-28-13-12-25(19-26(27)28)38(36,37)34-17-4-2-3-5-18-34/h6-13,15,19-21H,2-5,14,16-18H2,1H3,(H,32,35)