N-[5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[5-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-4-methyl-benzenesulfonamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H26FN3O3S/c1-18-3-11-23(12-4-18)33(31,32)27-24-17-20(6-5-19(24)2)25(30)29-15-13-28(14-16-29)22-9-7-21(26)8-10-22/h3-12,17,27H,13-16H2,1-2H3