4-tert-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O3S/c1-21(2,3)18-7-5-17(6-8-18)19(27)22-11-16-30(28,29)26-14-12-25(13-15-26)20-23-9-4-10-24-20/h4-10H,11-16H2,1-3H3,(H,22,27)