4-[bis[(phenylmethyl)sulfonyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzenecarbonitrile Openeye Name: 4-[bis(benzylsulfonyl)methyl]benzonitrile CAS Name: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzonitrile IUPAC Name: 4-[bis(benzylsulfonyl)methyl]benzonitrile Traditional Name: 4-[bis(benzylsulfonyl)methyl]benzonitrile Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H19NO4S2/c23-15-18-11-13-21(14-12-18)22(28(24,25)16-19-7-3-1-4-8-19)29(26,27)17-20-9-5-2-6-10-20/h1-14,22H,16-17H2