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

Systemtic Name: cyanomethyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: cyanomethyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid cyanomethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-16(10-3-4-14(17)21-11-9-15)22(18,19)13-7-5-12(20-2)6-8-13/h5-8H,3-4,10-11H2,1-2H3