2,4,6-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 2,4,6-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2,4,6-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2,4,6-trimethyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2,4,6-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2,4,6-trimethyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C21H29N5O3S/c1-16-14-17(2)19(18(3)15-16)20(27)22-8-5-13-30(28,29)26-11-9-25(10-12-26)21-23-6-4-7-24-21/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,27)