N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide CAS Name: N-[5-(diethylsulfamoyl)-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyrazinamide Formula: C21H31N6O3S+ MolecularWeight: 447.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H30N6O3S/c1-4-25-11-13-26(14-12-25)20-8-7-17(31(29,30)27(5-2)6-3)15-18(20)24-21(28)19-16-22-9-10-23-19/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,28)/p+1