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

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate hydrochloride Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate hydrochloride CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate hydrochloride Traditional Name: 3-(4-piperonylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester hydrochloride Formula: C18H21ClN2O6S2 MolecularWeight: 460.95214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C18H20N2O6S2.ClH/c1-24-18(21)17-16(4-9-27-17)28(22,23)20-7-5-19(6-8-20)11-13-2-3-14-15(10-13)26-12-25-14;/h2-4,9-10H,5-8,11-12H2,1H3;1H