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

Systemtic Name: 3-[4-[[4-(2-cyanoethylsulfonyl)phenyl]methyl]phenyl]sulfonylpropanenitrile Openeye Name: 3-[4-[[4-(2-cyanoethylsulfonyl)phenyl]methyl]phenyl]sulfonylpropanenitrile CAS Name: 3-[4-[[4-(2-cyanoethylsulfonyl)phenyl]methyl]phenyl]sulfonylpropanenitrile IUPAC Name: 3-[4-[[4-(2-cyanoethylsulfonyl)phenyl]methyl]phenyl]sulfonylpropanenitrile Traditional Name: 3-[4-[4-(2-cyanoethylsulfonyl)benzyl]phenyl]sulfonylpropionitrile Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)CCC#N)S(=O)(=O)CCC#N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)CCC#N)S(=O)(=O)CCC#N

InChI

InChI=1S/C19H18N2O4S2/c20-11-1-13-26(22,23)18-7-3-16(4-8-18)15-17-5-9-19(10-6-17)27(24,25)14-2-12-21/h3-10H,1-2,13-15H2