methyl 3-[3-cyanopropyl-(4-methylphenyl)sulfonyl-amino]propanoate

Systemtic Name: methyl 3-[3-cyanopropyl-(4-methylphenyl)sulfonyl-amino]propanoate Openeye Name: methyl 3-[3-cyanopropyl(p-tolylsulfonyl)amino]propanoate CAS Name: 3-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-[3-cyanopropyl(tosyl)amino]propionic acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC#N)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC#N)CCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-13-5-7-14(8-6-13)22(19,20)17(11-4-3-10-16)12-9-15(18)21-2/h5-8H,3-4,9,11-12H2,1-2H3