3-[[4-cyano-2-(dimethylcarbamoyl)phenyl]amino]propyl methanesulfonate

Systemtic Name: 3-[[4-cyano-2-(dimethylcarbamoyl)phenyl]amino]propyl methanesulfonate Openeye Name: 3-[4-cyano-2-(dimethylcarbamoyl)anilino]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-cyano-2-[dimethylamino(oxo)methyl]anilino]propyl ester IUPAC Name: 3-[4-cyano-2-(dimethylcarbamoyl)anilino]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-cyano-2-(dimethylcarbamoyl)anilino]propyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)C#N)NCCCOS(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)C#N)NCCCOS(=O)(=O)C

InChI

InChI=1S/C14H19N3O4S/c1-17(2)14(18)12-9-11(10-15)5-6-13(12)16-7-4-8-21-22(3,19)20/h5-6,9,16H,4,7-8H2,1-3H3