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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c32-28(25-20-27(21-10-4-3-5-11-21)30-26-13-7-6-12-24(25)26)29-22-14-16-23(17-15-22)35(33,34)31-18-8-1-2-9-19-31/h3-7,10-17,20H,1-2,8-9,18-19H2,(H,29,32)