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

Systemtic Name: ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-methoxyphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-3-29-22(25)20-21(18-6-4-5-7-19(18)30-20)31(26,27)24-14-12-23(13-15-24)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3