2-(3,5-dimethylphenyl)sulfonyl-6-[(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 2-(3,5-dimethylphenyl)sulfonyl-6-[(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 2-(benzylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile CAS Name: 2-(3,5-dimethylphenyl)sulfonyl-6-[(phenylmethyl)amino]benzonitrile IUPAC Name: 2-(benzylamino)-6-(3,5-dimethylphenyl)sulfonylbenzonitrile Traditional Name: 2-(benzylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2O2S/c1-16-11-17(2)13-19(12-16)27(25,26)22-10-6-9-21(20(22)14-23)24-15-18-7-4-3-5-8-18/h3-13,24H,15H2,1-2H3