4-[[4-methyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-phenyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-phenyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-phenyl-methyl]benzonitrile CAS Name: 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-phenylmethyl]benzonitrile IUPAC Name: 4-[[4-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethyl]benzonitrile Traditional Name: 4-[(4-methyl-1-tosyl-pyrrol-3-yl)-phenyl-methyl]benzonitrile Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H22N2O2S/c1-19-8-14-24(15-9-19)31(29,30)28-17-20(2)25(18-28)26(22-6-4-3-5-7-22)23-12-10-21(16-27)11-13-23/h3-15,17-18,26H,1-2H3