methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-piperonylpiperazino)sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O6S/c1-25-18(22)15-9-14(10-19-15)28(23,24)21-6-4-20(5-7-21)11-13-2-3-16-17(8-13)27-12-26-16/h2-3,8-10,19H,4-7,11-12H2,1H3