3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide

Systemtic Name: 3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Openeye Name: 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide CAS Name: 3-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide IUPAC Name: 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide Traditional Name: 3-[4-(3-fluorobenzoyl)piperazino]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Formula: C27H30FN3O4S MolecularWeight: 511.608203

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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=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN3O4S/c1-29(14-13-21-7-4-3-5-8-21)36(33,34)24-11-12-26(35-2)25(20-24)30-15-17-31(18-16-30)27(32)22-9-6-10-23(28)19-22/h3-12,19-20H,13-18H2,1-2H3