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

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-2-fluoranyl-benzamide Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-2-fluoro-benzamide CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-N-(4-ethoxyphenyl)-2-fluorobenzamide IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-2-fluorobenzamide Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-2-fluoro-N-p-phenetyl-benzamide Formula: C27H30FN3O4S MolecularWeight: 511.608203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)F

InChI

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