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

Systemtic Name: N-(2,5-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2,5-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(2,5-dimethylphenyl)-5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2,5-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(2,5-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-2-fluoro-benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)F

InChI

InChI=1S/C27H30FN3O3S/c1-18-8-9-20(3)25(16-18)29-27(32)23-17-22(10-11-24(23)28)35(33,34)31-14-12-30(13-15-31)26-7-5-6-19(2)21(26)4/h5-11,16-17H,12-15H2,1-4H3,(H,29,32)