3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropanenitrile

Systemtic Name: 3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropanenitrile Openeye Name: 3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropanenitrile CAS Name: 3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropanenitrile IUPAC Name: 3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropanenitrile Traditional Name: 3-[4-[4-(2-cyanoethylsulfonyl)phenyl]phenyl]sulfonylpropionitrile Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC#N)S(=O)(=O)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC#N)S(=O)(=O)CCC#N

InChI

InChI=1S/C18H16N2O4S2/c19-11-1-13-25(21,22)17-7-3-15(4-8-17)16-5-9-18(10-6-16)26(23,24)14-2-12-20/h3-10H,1-2,13-14H2