4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]ethoxy]benzenesulfonamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H29N5O3S/c1-15(2)20-22-16(3)14-19(23-20)25-10-8-24(9-11-25)12-13-28-17-4-6-18(7-5-17)29(21,26)27/h4-7,14-15H,8-13H2,1-3H3,(H2,21,26,27)/p+1