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

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]-piperonylamide Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5S/c25-18(15-3-4-16-17(13-15)29-14-28-16)20-7-2-12-30(26,27)24-10-8-23(9-11-24)19-21-5-1-6-22-19/h1,3-6,13H,2,7-12,14H2,(H,20,25)