2-[2-methyl-1-(4-methylphenyl)sulfonyl-indol-4-yl]ethanenitrile

Systemtic Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-indol-4-yl]ethanenitrile Openeye Name: 2-[2-methyl-1-(p-tolylsulfonyl)indol-4-yl]acetonitrile CAS Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-4-indolyl]acetonitrile IUPAC Name: 2-[2-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]acetonitrile Traditional Name: 2-(2-methyl-1-tosyl-indol-4-yl)acetonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CC=C32)CC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CC=C32)CC#N)C

InChI

InChI=1S/C18H16N2O2S/c1-13-6-8-16(9-7-13)23(21,22)20-14(2)12-17-15(10-11-19)4-3-5-18(17)20/h3-9,12H,10H2,1-2H3