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

Systemtic Name: cyanomethyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: cyanomethyl 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric acid cyanomethyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S/c1-12(18)13-5-7-14(8-6-13)23(20,21)17(2)10-3-4-15(19)22-11-9-16/h5-8H,3-4,10-11H2,1-2H3