2,3-bis[(4-methylphenyl)sulfonylmethyl]-1-oxidanidyl-quinoxalin-1-ium

Systemtic Name: 2,3-bis[(4-methylphenyl)sulfonylmethyl]-1-oxidanidyl-quinoxalin-1-ium Openeye Name: 1-oxido-2,3-bis(p-tolylsulfonylmethyl)quinoxalin-1-ium CAS Name: 2,3-bis[(4-methylphenyl)sulfonylmethyl]-1-oxidoquinoxalin-1-ium IUPAC Name: 2,3-bis[(4-methylphenyl)sulfonylmethyl]-1-oxidoquinoxalin-1-ium Traditional Name: 1-oxido-2,3-bis(tosylmethyl)quinoxalin-1-ium Formula: C24H22N2O5S2 MolecularWeight: 482.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3[N+](=C2CS(=O)(=O)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3[N+](=C2CS(=O)(=O)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C24H22N2O5S2/c1-17-7-11-19(12-8-17)32(28,29)15-22-24(26(27)23-6-4-3-5-21(23)25-22)16-33(30,31)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3