3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-N-(4-sulfamoylphenyl)propionamide Formula: C21H31N6O3S+ MolecularWeight: 447.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H30N6O3S/c1-15(2)21-23-16(3)14-19(25-21)27-12-10-26(11-13-27)9-8-20(28)24-17-4-6-18(7-5-17)31(22,29)30/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)(H2,22,29,30)/p+1