4-fluoranyl-N-(4-methyl-3-nitro-phenyl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-(4-methyl-3-nitro-phenyl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-(4-methyl-3-nitro-phenyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-fluoro-N-(4-methyl-3-nitrophenyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-(4-methyl-3-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-(4-methyl-3-nitro-phenyl)-3-piperidinosulfonyl-benzamide Formula: C19H20FN3O5S MolecularWeight: 421.442603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O5S/c1-13-5-7-15(12-17(13)23(25)26)21-19(24)14-6-8-16(20)18(11-14)29(27,28)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)