benzenesulfonate; 5-[3-ethenyl-2-(4-methylsulfonylphenyl)-1-phenyl-quinolin-1-ium-4-yl]-3-methyl-1,2,4-oxadiazole

Systemtic Name: benzenesulfonate; 5-[3-ethenyl-2-(4-methylsulfonylphenyl)-1-phenyl-quinolin-1-ium-4-yl]-3-methyl-1,2,4-oxadiazole Openeye Name: benzenesulfonate; 3-methyl-5-[2-(4-methylsulfonylphenyl)-1-phenyl-3-vinyl-quinolin-1-ium-4-yl]-1,2,4-oxadiazole CAS Name: benzenesulfonate; 5-[3-ethenyl-2-(4-methylsulfonylphenyl)-1-phenyl-4-quinolin-1-iumyl]-3-methyl-1,2,4-oxadiazole IUPAC Name: benzenesulfonate; 5-[3-ethenyl-2-(4-methylsulfonylphenyl)-1-phenylquinolin-1-ium-4-yl]-3-methyl-1,2,4-oxadiazole Traditional Name: 5-[2-(4-mesylphenyl)-1-phenyl-3-vinyl-quinolin-1-ium-4-yl]-3-methyl-1,2,4-oxadiazole besylate Formula: C33H27N3O6S2 MolecularWeight: 625.71398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=C(C(=[N+](C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)C)C=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C2=C(C(=[N+](C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)C)C=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H22N3O3S.C6H6O3S/c1-4-22-25(27-28-18(2)29-33-27)23-12-8-9-13-24(23)30(20-10-6-5-7-11-20)26(22)19-14-16-21(17-15-19)34(3,31)32;7-10(8,9)6-4-2-1-3-5-6/h4-17H,1H2,2-3H3;1-5H,(H,7,8,9)/q+1;/p-1