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

Systemtic Name: 4-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]cyclohexanecarboxamide Formula: C21H35N5O3S MolecularWeight: 437.5993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O3S/c1-2-3-5-18-6-8-19(9-7-18)20(27)22-12-17-30(28,29)26-15-13-25(14-16-26)21-23-10-4-11-24-21/h4,10-11,18-19H,2-3,5-9,12-17H2,1H3,(H,22,27)