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

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

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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=C(C=C4)F)F

Isomeric SMILES

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

InChI

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