N-ethyl-4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]sulfonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-ethyl-4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]sulfonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-ethyl-4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N-ethyl-4-[[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-ethyl-4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-ethyl-4-[4-(2-fluorobenzoyl)piperazino]sulfonyl-benzenesulfonamide Formula: C26H28FN3O5S2 MolecularWeight: 545.646023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O5S2/c1-2-29(20-21-8-4-3-5-9-21)36(32,33)22-12-14-23(15-13-22)37(34,35)30-18-16-28(17-19-30)26(31)24-10-6-7-11-25(24)27/h3-15H,2,16-20H2,1H3