N-(2-fluoranyl-5-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-fluoranyl-5-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-fluoro-5-methyl-phenyl)benzamide CAS Name: N-(2-fluoro-5-methylphenyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-fluoro-5-methylphenyl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(2-fluoro-5-methyl-phenyl)benzamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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