N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-chlorophenyl)cinchoninamide Formula: C28H25Cl2N3O3S MolecularWeight: 554.4874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H25Cl2N3O3S/c29-23-11-5-3-10-21(23)26-18-22(20-9-4-6-12-25(20)31-26)28(34)32-27-17-19(13-14-24(27)30)37(35,36)33-15-7-1-2-8-16-33/h3-6,9-14,17-18H,1-2,7-8,15-16H2,(H,32,34)