N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Formula: C21H24N5O3S+ MolecularWeight: 426.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H23N5O3S/c1-2-25-11-13-26(14-12-25)30(28,29)17-9-7-16(8-10-17)23-21(27)20-15-22-18-5-3-4-6-19(18)24-20/h3-10,15H,2,11-14H2,1H3,(H,23,27)/p+1