N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: N-(4-fluorobenzyl)-N-(2-keto-2-piperazino-ethyl)-3,4-dimethoxy-benzenesulfonamide Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)N3CCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)N3CCNCC3)OC

InChI

InChI=1S/C21H26FN3O5S/c1-29-19-8-7-18(13-20(19)30-2)31(27,28)25(14-16-3-5-17(22)6-4-16)15-21(26)24-11-9-23-10-12-24/h3-8,13,23H,9-12,14-15H2,1-2H3