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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O3S/c27-20(10-4-9-19-7-2-1-3-8-19)22-13-6-18-30(28,29)26-16-14-25(15-17-26)21-23-11-5-12-24-21/h1-3,5,7-8,11-12H,4,6,9-10,13-18H2,(H,22,27)