N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonylphenyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonylphenyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[4-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazine-1-carbonyl]phenyl]-3,4-dimethyl-benzenesulfonamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)C

InChI

InChI=1S/C26H28FN3O3S/c1-19-7-12-24(17-20(19)2)34(32,33)28-23-10-8-21(9-11-23)26(31)30-15-13-29(14-16-30)18-22-5-3-4-6-25(22)27/h3-12,17,28H,13-16,18H2,1-2H3