N-(2-fluorophenyl)-4-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-4-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2-fluorophenyl)-4-methyl-benzenesulfonamide CAS Name: N-(2-fluorophenyl)-4-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2-fluorophenyl)-4-methylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(2-fluorophenyl)-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=C2F)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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