N-[4-(cyanomethyl)phenyl]-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)S(=O)(=O)C)C

InChI

InChI=1S/C25H25N3O3S/c1-18-4-13-24(16-19(18)2)28(32(3,30)31)17-21-5-9-22(10-6-21)25(29)27-23-11-7-20(8-12-23)14-15-26/h4-13,16H,14,17H2,1-3H3,(H,27,29)