ethyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2,5-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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

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