2-[3-(phenylsulfonyl)prop-1-ynyl]benzenecarbonitrile

Systemtic Name: 2-[3-(phenylsulfonyl)prop-1-ynyl]benzenecarbonitrile Openeye Name: 2-[3-(benzenesulfonyl)prop-1-ynyl]benzonitrile CAS Name: 2-[3-(benzenesulfonyl)prop-1-ynyl]benzonitrile IUPAC Name: 2-[3-(benzenesulfonyl)prop-1-ynyl]benzonitrile Traditional Name: 2-(3-besylprop-1-ynyl)benzonitrile Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=CC=C2C#N

InChI

InChI=1S/C16H11NO2S/c17-13-15-8-5-4-7-14(15)9-6-12-20(18,19)16-10-2-1-3-11-16/h1-5,7-8,10-11H,12H2