methyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(2,4-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2,4-dimethylphenyl)piperazino]sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC)C

InChI

InChI=1S/C22H23FN2O4S2/c1-14-7-8-17(15(2)13-14)24-9-11-25(12-10-24)31(27,28)21-19-16(23)5-4-6-18(19)30-20(21)22(26)29-3/h4-8,13H,9-12H2,1-3H3