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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluoranyl-benzamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluoro-benzamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-4-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=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

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

InChI

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