N-(3-methylsulfonylphenyl)-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-(3-methylsulfonylphenyl)quinoline-4-carboxamide CAS Name: N-(3-methylsulfonylphenyl)-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-(3-mesylphenyl)cinchoninamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O3S/c1-13(2)19-12-17(16-9-4-5-10-18(16)22-19)20(23)21-14-7-6-8-15(11-14)26(3,24)25/h4-13H,1-3H3,(H,21,23)