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

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)benzamide Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(4-fluoro-3-nitro-phenyl)benzamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(4-fluoro-3-nitrophenyl)benzamide IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluoro-3-nitrophenyl)benzamide Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-(4-fluoro-3-nitro-phenyl)benzamide Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5S/c1-13-9-14(2)12-23(11-13)30(28,29)17-6-3-15(4-7-17)20(25)22-16-5-8-18(21)19(10-16)24(26)27/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,25)/t13-,14-/m0/s1