N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]quinoline-8-carboxamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]quinoline-8-carboxamide Openeye Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]quinoline-8-carboxamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-8-quinolinecarboxamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]quinoline-8-carboxamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]quinoline-8-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C23H25N3O3S/c1-16-6-3-7-17(2)26(16)30(28,29)20-13-11-19(12-14-20)25-23(27)21-10-4-8-18-9-5-15-24-22(18)21/h4-5,8-17H,3,6-7H2,1-2H3,(H,25,27)/t16-,17-/m0/s1