2-[1-(phenylsulfonyl)indol-5-yl]ethanenitrile

Systemtic Name: 2-[1-(phenylsulfonyl)indol-5-yl]ethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)indol-5-yl]acetonitrile CAS Name: 2-[1-(benzenesulfonyl)-5-indolyl]acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)indol-5-yl]acetonitrile Traditional Name: 2-(1-besylindol-5-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=CC3=C2C=CC(=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)CC#N

InChI

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