N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-ethyl-2-propyl-quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-ethyl-2-propyl-quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-3-ethyl-2-propyl-quinoline-4-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-propyl-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-propylquinoline-4-carboxamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-3-ethyl-2-propyl-cinchoninamide Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-4-8-18-15(5-2)21(16-9-6-7-10-19(16)24-18)22(26)25-20-13-14(29(3,27)28)11-12-17(20)23/h6-7,9-13H,4-5,8H2,1-3H3,(H,25,26)