N-[4-(cyanomethyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-5-mesyl-2-methyl-benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H16N2O3S/c1-12-3-8-15(23(2,21)22)11-16(12)17(20)19-14-6-4-13(5-7-14)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20)