N-(4-chloranyl-2-fluoranyl-phenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)C

InChI

InChI=1S/C20H22ClFN2O3S/c1-13-9-14(2)12-24(11-13)28(26,27)17-6-3-15(4-7-17)20(25)23-19-8-5-16(21)10-18(19)22/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25)/t13-,14-/m0/s1