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

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-4-fluoranyl-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: N-[(3-ethoxyphenyl)methyl]-4-fluoro-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: N-[(3-ethoxyphenyl)methyl]-4-fluoro-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(3-ethoxyphenyl)methyl]-4-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: N-(3-ethoxybenzyl)-4-fluoro-N-(2-keto-2-piperazino-ethyl)benzenesulfonamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC(=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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