4-fluoranyl-N-[1-(3-methyl-4-nitro-phenyl)carbonylpiperidin-4-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[1-(3-methyl-4-nitro-phenyl)carbonylpiperidin-4-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[1-(3-methyl-4-nitro-benzoyl)-4-piperidyl]benzenesulfonamide CAS Name: 4-fluoro-N-[1-[(3-methyl-4-nitrophenyl)-oxomethyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[1-(3-methyl-4-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[1-(3-methyl-4-nitro-benzoyl)-4-piperidyl]benzenesulfonamide Formula: C19H20FN3O5S MolecularWeight: 421.442603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

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