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

Systemtic Name: methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-27-17-9-5-4-8-16(17)22-11-13-23(14-12-22)30(25,26)20-15-7-3-6-10-18(15)29-19(20)21(24)28-2/h3-10H,11-14H2,1-2H3