4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonylbenzamide Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H25N5O3S/c1-13(2)19-21-14(3)12-17(22-19)23-8-10-24(11-9-23)28(26,27)16-6-4-15(5-7-16)18(20)25/h4-7,12-13H,8-11H2,1-3H3,(H2,20,25)