N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)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=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

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