4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzenesulfonamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H31N5O2S/c1-21(2,3)18-6-8-19(9-7-18)29(27,28)24-12-5-13-25-14-16-26(17-15-25)20-22-10-4-11-23-20/h4,6-11,24H,5,12-17H2,1-3H3