2-(3-phenylpropylsulfonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(3-phenylpropylsulfonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(3-phenylpropylsulfonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(3-phenylpropylsulfonyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(3-phenylpropylsulfonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(3-phenylpropylsulfonyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O3S/c28-21(19-31(29,30)18-4-9-20-7-2-1-3-8-20)23-12-6-13-26-14-16-27(17-15-26)22-24-10-5-11-25-22/h1-3,5,7-8,10-11H,4,6,9,12-19H2,(H,23,28)