4-fluoranyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(4-phenoxyphenyl)benzamide

Systemtic Name: 4-fluoranyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 4-fluoro-3-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-N-(4-phenoxyphenyl)benzamide CAS Name: 4-fluoro-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-N-(4-phenoxyphenyl)benzamide IUPAC Name: 4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(4-phenoxyphenyl)benzamide Traditional Name: 4-fluoro-3-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-N-(4-phenoxyphenyl)benzamide Formula: C31H30FN3O4S MolecularWeight: 559.651003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

InChI

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