methyl 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N2O6S2/c1-23-17(20)16-15(4-9-26-16)27(21,22)19-7-5-18(6-8-19)12-2-3-13-14(10-12)25-11-24-13/h2-4,9-10H,5-8,11H2,1H3