4-oxidanylidene-4-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide

Systemtic Name: 4-oxidanylidene-4-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide Openeye Name: 4-oxo-4-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide CAS Name: 4-oxo-4-phenyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]butanamide IUPAC Name: 4-oxo-4-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide Traditional Name: 4-keto-4-phenyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]butyramide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4S/c27-19(18-6-2-1-3-7-18)8-9-20(28)22-12-5-17-31(29,30)26-15-13-25(14-16-26)21-23-10-4-11-24-21/h1-4,6-7,10-11H,5,8-9,12-17H2,(H,22,28)