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

Systemtic Name: N-(3,5-dimethylphenyl)-2-fluoranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(3,5-dimethylphenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(3,5-dimethylphenyl)-2-fluoro-5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(3,5-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=CC(=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=CC(=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/c1-18-14-19(2)16-20(15-18)28-26(31)24-17-23(8-9-25(24)27)35(32,33)30-12-10-29(11-13-30)21-4-6-22(34-3)7-5-21/h4-9,14-17H,10-13H2,1-3H3,(H,28,31)