4,4-bis[(phenylmethyl)sulfonyl]heptanedinitrile

Systemtic Name: 4,4-bis[(phenylmethyl)sulfonyl]heptanedinitrile Openeye Name: 4,4-bis(benzylsulfonyl)heptanedinitrile CAS Name: 4,4-bis[(phenylmethyl)sulfonyl]heptanedinitrile IUPAC Name: 4,4-bis(benzylsulfonyl)heptanedinitrile Traditional Name: 4,4-bis(benzylsulfonyl)pimelonitrile Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C(CCC#N)(CCC#N)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(CCC#N)(CCC#N)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S2/c22-15-7-13-21(14-8-16-23,28(24,25)17-19-9-3-1-4-10-19)29(26,27)18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-14,17-18H2