N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-9H-xanthene-9-carboxamide CAS Name: N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]-9H-xanthene-9-carboxamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H27N5O4S/c31-24(23-19-7-1-3-9-21(19)34-22-10-4-2-8-20(22)23)26-13-6-18-35(32,33)30-16-14-29(15-17-30)25-27-11-5-12-28-25/h1-5,7-12,23H,6,13-18H2,(H,26,31)