N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-propan-2-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-propan-2-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-1-phenyl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenylpropan-2-yl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylpropan-2-yl]-4-fluorobenzenesulfonamide Traditional Name: 4-fluoro-N-[1-methyl-1-phenyl-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C27H30FN3O4S MolecularWeight: 511.608203

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)(C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)(C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H30FN3O4S/c1-27(22-5-3-2-4-6-22,29-36(32,33)24-10-8-23(28)9-11-24)19-31-15-13-30(14-16-31)18-21-7-12-25-26(17-21)35-20-34-25/h2-12,17,29H,13-16,18-20H2,1H3