2-[1-(2,5-dimethylphenyl)-2-phenyl-ethyl]sulfonyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)-2-phenyl-ethyl]sulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)-2-phenyl-ethyl]sulfonyl-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)-2-phenylethyl]sulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)-2-phenylethyl]sulfonyl-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)-2-phenyl-ethyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H21NO3S/c1-16-11-12-17(2)19(14-16)20(15-18-8-4-3-5-9-18)26(24,25)21-10-6-7-13-22(21)23/h3-14,20H,15H2,1-2H3