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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-methylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-methylsulfonyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-methylsulfonylbenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-methylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-mesyl-benzamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H14N2O3S/c1-22(20,21)15-5-3-2-4-14(15)16(19)18-13-8-6-12(7-9-13)10-11-17/h2-9H,10H2,1H3,(H,18,19)