N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-fluorobenzenesulfonamide Traditional Name: 2-fluoro-N-[3-keto-3-(4-o-phenetylpiperazino)propyl]benzenesulfonamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O4S/c1-2-29-19-9-5-4-8-18(19)24-13-15-25(16-14-24)21(26)11-12-23-30(27,28)20-10-6-3-7-17(20)22/h3-10,23H,2,11-16H2,1H3