1-cyanoethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 1-cyanoethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid 1-cyanoethyl ester Formula: C12H13FN2O4S MolecularWeight: 300.306023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C#N)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C12H13FN2O4S/c1-9(7-14)19-12(16)8-15(2)20(17,18)11-5-3-10(13)4-6-11/h3-6,9H,8H2,1-2H3