N-(2,4-dimethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C25H26FN3O5S MolecularWeight: 499.554443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H26FN3O5S/c1-33-21-10-11-23(24(17-21)34-2)27-25(30)18-4-3-5-22(16-18)35(31,32)29-14-12-28(13-15-29)20-8-6-19(26)7-9-20/h3-11,16-17H,12-15H2,1-2H3,(H,27,30)