methyl 5-[4-[2-(6-methyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(6-methyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(6-methylbenzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(6-methyl-1-benzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(6-methylbenzofuran-3-yl)acetyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

InChI

InChI=1S/C21H22N2O6S2/c1-14-3-4-17-15(12-29-18(17)9-14)10-19(24)22-5-7-23(8-6-22)31(26,27)20-11-16(13-30-20)21(25)28-2/h3-4,9,11-13H,5-8,10H2,1-2H3