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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide Formula: C31H30FN3O4S MolecularWeight: 559.651003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

InChI

InChI=1S/C31H30FN3O4S/c1-22-8-9-23(2)29(20-22)34-16-18-35(19-17-34)40(37,38)30-21-24(10-15-28(30)32)31(36)33-25-11-13-27(14-12-25)39-26-6-4-3-5-7-26/h3-15,20-21H,16-19H2,1-2H3,(H,33,36)