N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)cinchoninamide Formula: C26H21Cl2N3O3S MolecularWeight: 526.43424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21Cl2N3O3S/c27-18-9-7-17(8-10-18)24-16-21(20-5-1-2-6-23(20)29-24)26(32)30-25-15-19(11-12-22(25)28)35(33,34)31-13-3-4-14-31/h1-2,5-12,15-16H,3-4,13-14H2,(H,30,32)