dimethyl 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H24N2O6S2/c1-30-22(26)16-11-17(23(27)31-2)13-19(12-16)33(28,29)25-9-7-24(8-10-25)14-18-15-32-21-6-4-3-5-20(18)21/h3-6,11-13,15H,7-10,14H2,1-2H3