N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]-piperonylamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N5O5S/c24-17(14-2-3-15-16(12-14)28-13-27-15)19-6-11-29(25,26)23-9-7-22(8-10-23)18-20-4-1-5-21-18/h1-5,12H,6-11,13H2,(H,19,24)