1-cyanoethyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: 1-cyanoethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid 1-cyanoethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C#N)C

InChI

InChI=1S/C13H16N2O4S/c1-9-4-5-12(6-10(9)2)20(17,18)15-8-13(16)19-11(3)7-14/h4-6,11,15H,8H2,1-3H3