3-[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide

Systemtic Name: 3-[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Openeye Name: 3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide CAS Name: 3-[4-[(2,6-difluorophenyl)-oxomethyl]-1-piperazinyl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide IUPAC Name: 3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide Traditional Name: 3-[4-(2,6-difluorobenzoyl)piperazino]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Formula: C27H29F2N3O4S MolecularWeight: 529.598666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C27H29F2N3O4S/c1-30(14-13-20-7-4-3-5-8-20)37(34,35)21-11-12-25(36-2)24(19-21)31-15-17-32(18-16-31)27(33)26-22(28)9-6-10-23(26)29/h3-12,19H,13-18H2,1-2H3