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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(5-chloro-2-methoxyphenyl)-5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-5-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-2-fluoro-benzamide Formula: C26H27ClFN3O4S MolecularWeight: 532.026683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C26H27ClFN3O4S/c1-17-4-5-18(2)24(14-17)30-10-12-31(13-11-30)36(33,34)20-7-8-22(28)21(16-20)26(32)29-23-15-19(27)6-9-25(23)35-3/h4-9,14-16H,10-13H2,1-3H3,(H,29,32)