3-fluoranyl-4-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: 3-fluoro-4-methyl-N-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H26FN3O3S/c1-19-10-11-23(17-24(19)26)33(31,32)27-22-9-5-8-21(16-22)25(30)29-14-12-28(13-15-29)18-20-6-3-2-4-7-20/h2-11,16-17,27H,12-15,18H2,1H3