cyanomethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate

Systemtic Name: cyanomethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propionic acid cyanomethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC(=O)OCC#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC(=O)OCC#N)C)C

InChI

InChI=1S/C16H22N2O4S/c1-10-11(2)13(4)16(14(5)12(10)3)23(20,21)18-8-6-15(19)22-9-7-17/h18H,6,8-9H2,1-5H3