N-[(4-fluorophenyl)methyl]-3,4-dimethyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3,4-dimethyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[(4-fluorophenyl)methyl]-3,4-dimethyl-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-3,4-dimethyl-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3,4-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: N-(4-fluorobenzyl)-N-(3-keto-3-piperazino-propyl)-3,4-dimethyl-benzenesulfonamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3O3S/c1-17-3-8-21(15-18(17)2)30(28,29)26(16-19-4-6-20(23)7-5-19)12-9-22(27)25-13-10-24-11-14-25/h3-8,15,24H,9-14,16H2,1-2H3