7-phenyl-4,4-bis[(phenylmethyl)sulfonyl]heptanenitrile

Systemtic Name: 7-phenyl-4,4-bis[(phenylmethyl)sulfonyl]heptanenitrile Openeye Name: 4,4-bis(benzylsulfonyl)-7-phenyl-heptanenitrile CAS Name: 7-phenyl-4,4-bis[(phenylmethyl)sulfonyl]heptanenitrile IUPAC Name: 4,4-bis(benzylsulfonyl)-7-phenylheptanenitrile Traditional Name: 4,4-bis(benzylsulfonyl)-7-phenyl-enanthonitrile Formula: C27H29NO4S2 MolecularWeight: 495.65346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CCC#N)(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CCC#N)(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO4S2/c28-21-11-20-27(19-10-18-24-12-4-1-5-13-24,33(29,30)22-25-14-6-2-7-15-25)34(31,32)23-26-16-8-3-9-17-26/h1-9,12-17H,10-11,18-20,22-23H2