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

Systemtic Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C23H25FN2O4S2 MolecularWeight: 476.584003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C23H25FN2O4S2/c1-4-30-23(27)21-22(20-17(24)8-6-10-19(20)31-21)32(28,29)26-13-11-25(12-14-26)18-9-5-7-15(2)16(18)3/h5-10H,4,11-14H2,1-3H3