N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-2-(1-methylcyclopropyl)quinoline-4-carboxamide

Systemtic Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-2-(1-methylcyclopropyl)quinoline-4-carboxamide Openeye Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-2-(1-methylcyclopropyl)quinoline-4-carboxamide CAS Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-2-(1-methylcyclopropyl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-2-(1-methylcyclopropyl)quinoline-4-carboxamide Traditional Name: N-[[3-(dimethylamino)phenyl]-(4-mesylphenyl)methyl]-2-(1-methylcyclopropyl)cinchoninamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C4=CC=C(C=C4)S(=O)(=O)C)C5=CC(=CC=C5)N(C)C

Isomeric SMILES

CC1(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C4=CC=C(C=C4)S(=O)(=O)C)C5=CC(=CC=C5)N(C)C

InChI

InChI=1S/C30H31N3O3S/c1-30(16-17-30)27-19-25(24-10-5-6-11-26(24)31-27)29(34)32-28(21-8-7-9-22(18-21)33(2)3)20-12-14-23(15-13-20)37(4,35)36/h5-15,18-19,28H,16-17H2,1-4H3,(H,32,34)