N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33N6O3S+ MolecularWeight: 473.61152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H32N6O3S/c1-27(20-6-3-2-4-7-20)33(31,32)21-10-8-19(9-11-21)26-22(30)18-28-14-16-29(17-15-28)23-24-12-5-13-25-23/h5,8-13,20H,2-4,6-7,14-18H2,1H3,(H,26,30)/p+1