cyanomethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: cyanomethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate Openeye Name: cyanomethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyric acid cyanomethyl ester Formula: C13H15FN2O4S MolecularWeight: 314.332603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O4S/c1-16(9-2-3-13(17)20-10-8-15)21(18,19)12-6-4-11(14)5-7-12/h4-7H,2-3,9-10H2,1H3