4-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]cyclohexanecarboxamide Formula: C22H37N5O3S MolecularWeight: 451.62588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H37N5O3S/c1-2-3-6-19-7-9-20(10-8-19)21(28)23-13-5-18-31(29,30)27-16-14-26(15-17-27)22-24-11-4-12-25-22/h4,11-12,19-20H,2-3,5-10,13-18H2,1H3,(H,23,28)