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

Systemtic Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S2/c1-4-29-23(26)21-22(18-9-5-6-11-20(18)30-21)31(27,28)25-14-12-24(13-15-25)19-10-7-8-16(2)17(19)3/h5-11H,4,12-15H2,1-3H3