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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide Traditional Name: 3-[4-(2,3-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=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F)C

Isomeric SMILES

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

InChI

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