2,3-bis[4-(phenylsulfonyl)phenyl]-2-[[4-(phenylsulfonyl)phenyl]methyl]propanenitrile

Systemtic Name: 2,3-bis[4-(phenylsulfonyl)phenyl]-2-[[4-(phenylsulfonyl)phenyl]methyl]propanenitrile Openeye Name: 2,3-bis[4-(benzenesulfonyl)phenyl]-2-[[4-(benzenesulfonyl)phenyl]methyl]propanenitrile CAS Name: 2,3-bis[4-(benzenesulfonyl)phenyl]-2-[[4-(benzenesulfonyl)phenyl]methyl]propanenitrile IUPAC Name: 2,3-bis[4-(benzenesulfonyl)phenyl]-2-[[4-(benzenesulfonyl)phenyl]methyl]propanenitrile Traditional Name: 2-(4-besylbenzyl)-2,3-bis(4-besylphenyl)propionitrile Formula: C40H31NO6S3 MolecularWeight: 717.87224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CC(CC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)(C#N)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CC(CC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)(C#N)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C40H31NO6S3/c41-30-40(33-20-26-39(27-21-33)50(46,47)36-14-8-3-9-15-36,28-31-16-22-37(23-17-31)48(42,43)34-10-4-1-5-11-34)29-32-18-24-38(25-19-32)49(44,45)35-12-6-2-7-13-35/h1-27H,28-29H2