N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]phenyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylmorpholino]sulfonylphenyl]-2-methyl-cinchoninamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H25N3O4S/c1-15-12-21(20-6-4-5-7-22(20)24-15)23(27)25-18-8-10-19(11-9-18)31(28,29)26-13-16(2)30-17(3)14-26/h4-12,16-17H,13-14H2,1-3H3,(H,25,27)/t16-,17-/m0/s1