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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanenitrile Openeye Name: 2-[1-(p-tolylsulfonyl)indol-3-yl]acetonitrile CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-indolyl]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetonitrile Traditional Name: 2-(1-tosylindol-3-yl)acetonitrile Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-14(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10H2,1H3