N-(2,6-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2,6-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(2,6-dimethylphenyl)-5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2,6-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(2,6-dimethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-2-fluoro-benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC=C4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC=C4C)C)C

InChI

InChI=1S/C27H30FN3O3S/c1-18-7-6-10-25(21(18)4)30-13-15-31(16-14-30)35(33,34)22-11-12-24(28)23(17-22)27(32)29-26-19(2)8-5-9-20(26)3/h5-12,17H,13-16H2,1-4H3,(H,29,32)