N-(2-methyl-5-methylsulfonyl-phenyl)-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-(2-methyl-5-methylsulfonyl-phenyl)quinoline-4-carboxamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-(5-mesyl-2-methyl-phenyl)cinchoninamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H22N2O3S/c1-13(2)19-12-17(16-7-5-6-8-18(16)22-19)21(24)23-20-11-15(27(4,25)26)10-9-14(20)3/h5-13H,1-4H3,(H,23,24)