4-[(4-methylphenyl)sulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzenecarbonitrile Openeye Name: 4-[p-tolylsulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzonitrile CAS Name: 4-[(4-methylphenyl)sulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzonitrile IUPAC Name: 4-[(4-methylphenyl)sulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzonitrile Traditional Name: 4-[asaryl(tosyl)methyl]benzonitrile Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C#N)C3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C#N)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C24H23NO5S/c1-16-5-11-19(12-6-16)31(26,27)24(18-9-7-17(15-25)8-10-18)20-13-22(29-3)23(30-4)14-21(20)28-2/h5-14,24H,1-4H3