methyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-acetylphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S2/c1-15(25)16-7-9-17(10-8-16)23-11-13-24(14-12-23)31(27,28)21-18-5-3-4-6-19(18)30-20(21)22(26)29-2/h3-10H,11-14H2,1-2H3