3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C17H23N6O3S+ MolecularWeight: 391.46792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O3S/c18-27(25,26)15-4-2-14(3-5-15)21-16(24)6-9-22-10-12-23(13-11-22)17-19-7-1-8-20-17/h1-5,7-8H,6,9-13H2,(H,21,24)(H2,18,25,26)/p+1