4-propan-2-yloxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-propan-2-yloxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-isopropoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-propan-2-yloxy-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-propan-2-yloxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-isopropoxy-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O4S/c1-17(2)30-19-7-5-18(6-8-19)20(27)22-11-4-16-31(28,29)26-14-12-25(13-15-26)21-23-9-3-10-24-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,22,27)