2-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Openeye Name: 2-[1-(p-tolylsulfonyl)indol-3-yl]propanenitrile CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanenitrile IUPAC Name: 2-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Traditional Name: 2-(1-tosylindol-3-yl)propionitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C#N

InChI

InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)23(21,22)20-12-17(14(2)11-19)16-5-3-4-6-18(16)20/h3-10,12,14H,1-2H3