2-fluoranyl-N-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]benzamide Openeye Name: 2-fluoro-N-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]benzamide CAS Name: 2-fluoro-N-[1-(4-methyl-3-nitrophenyl)sulfonyl-4-piperidinyl]benzamide IUPAC Name: 2-fluoro-N-[1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]benzamide Traditional Name: 2-fluoro-N-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]benzamide Formula: C19H20FN3O5S MolecularWeight: 421.442603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O5S/c1-13-6-7-15(12-18(13)23(25)26)29(27,28)22-10-8-14(9-11-22)21-19(24)16-4-2-3-5-17(16)20/h2-7,12,14H,8-11H2,1H3,(H,21,24)