N-(2,3-dimethylphenyl)-2-fluoranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-fluoranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2,3-dimethylphenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2,3-dimethylphenyl)-2-fluoro-5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2,3-dimethylphenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2,3-dimethylphenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazino]sulfonyl-benzamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O4S/c1-18-5-4-6-25(19(18)2)28-26(31)23-17-22(11-12-24(23)27)35(32,33)30-15-13-29(14-16-30)20-7-9-21(34-3)10-8-20/h4-12,17H,13-16H2,1-3H3,(H,28,31)