N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N5O2S/c1-3-25-12-14-26(15-13-25)21-20(22-18-6-4-5-7-19(18)23-21)24-29(27,28)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3,(H,22,24)/p+1