N-(2-cyanoethyl)-N-methyl-3-methylsulfonyl-benzamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-3-methylsulfonyl-benzamide Openeye Name: N-(2-cyanoethyl)-N-methyl-3-methylsulfonyl-benzamide CAS Name: N-(2-cyanoethyl)-N-methyl-3-methylsulfonylbenzamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-3-methylsulfonylbenzamide Traditional Name: N-(2-cyanoethyl)-3-mesyl-N-methyl-benzamide Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C12H14N2O3S/c1-14(8-4-7-13)12(15)10-5-3-6-11(9-10)18(2,16)17/h3,5-6,9H,4,8H2,1-2H3