4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-(4-piperonyloylpiperazino)sulfonyl-pyrrole-2-carboxamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O6S/c1-20-10-13(9-14(20)17(19)23)29(25,26)22-6-4-21(5-7-22)18(24)12-2-3-15-16(8-12)28-11-27-15/h2-3,8-10H,4-7,11H2,1H3,(H2,19,23)