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

Systemtic Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluorobenzamide Traditional Name: 5-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-2-fluoro-N-o-phenetyl-benzamide Formula: C27H30FN3O4S MolecularWeight: 511.608203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)F

InChI

InChI=1S/C27H30FN3O4S/c1-4-35-26-8-6-5-7-24(26)29-27(32)22-18-21(11-12-23(22)28)36(33,34)31-15-13-30(14-16-31)25-17-19(2)9-10-20(25)3/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,32)