3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoranyl-benzamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-N-(4-ethylphenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)-4-fluorobenzamide Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-N-(4-ethylphenyl)-4-fluoro-benzamide Formula: C25H25ClFN3O3S MolecularWeight: 502.000703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClFN3O3S/c1-2-18-6-9-21(10-7-18)28-25(31)19-8-11-23(27)24(16-19)34(32,33)30-14-12-29(13-15-30)22-5-3-4-20(26)17-22/h3-11,16-17H,2,12-15H2,1H3,(H,28,31)