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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoxaline-2-carboxamide Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-24-10-12-25(13-11-24)29(27,28)16-8-6-15(7-9-16)22-20(26)19-14-21-17-4-2-3-5-18(17)23-19/h2-9,14H,10-13H2,1H3,(H,22,26)/p+1