4-chloranyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C20H23ClN5O2S+ MolecularWeight: 432.94692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O2S/c1-25-11-4-12-26(14-13-25)20-19(22-17-5-2-3-6-18(17)23-20)24-29(27,28)16-9-7-15(21)8-10-16/h2-3,5-10H,4,11-14H2,1H3,(H,22,24)/p+1