3-[[(2-methyl-5-methylsulfonyl-phenyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2-methyl-5-methylsulfonyl-phenyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[(2-methyl-5-methylsulfonyl-anilino)methyl]benzonitrile CAS Name: 3-[(2-methyl-5-methylsulfonylanilino)methyl]benzonitrile IUPAC Name: 3-[(2-methyl-5-methylsulfonylanilino)methyl]benzonitrile Traditional Name: 3-[(5-mesyl-2-methyl-anilino)methyl]benzonitrile Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H16N2O2S/c1-12-6-7-15(21(2,19)20)9-16(12)18-11-14-5-3-4-13(8-14)10-17/h3-9,18H,11H2,1-2H3