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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C

InChI

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