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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)F

InChI

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