2-[1-(phenylsulfonyl)indol-3-yl]ethanenitrile

Systemtic Name: 2-[1-(phenylsulfonyl)indol-3-yl]ethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)indol-3-yl]acetonitrile CAS Name: 2-[1-(benzenesulfonyl)-3-indolyl]acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)indol-3-yl]acetonitrile Traditional Name: 2-(1-besylindol-3-yl)acetonitrile Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10H2