N-(4-fluoranyl-3-nitro-phenyl)-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-fluoro-3-nitrophenyl)-4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzamide Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22FN3O6S/c1-13-5-3-4-10-23(13)31(28,29)19-11-14(6-9-18(19)30-2)20(25)22-15-7-8-16(21)17(12-15)24(26)27/h6-9,11-13H,3-5,10H2,1-2H3,(H,22,25)/t13-/m1/s1