N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C28H26ClN3O5S MolecularWeight: 552.04114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl)OC

InChI

InChI=1S/C28H26ClN3O5S/c1-36-26-12-9-18(15-27(26)37-2)24-17-21(20-7-3-4-8-23(20)30-24)28(33)31-25-16-19(10-11-22(25)29)38(34,35)32-13-5-6-14-32/h3-4,7-12,15-17H,5-6,13-14H2,1-2H3,(H,31,33)