3-cyanopropyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: 3-cyanopropyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: 3-cyanopropyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid 3-cyanopropyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCCCC#N

InChI

InChI=1S/C14H18N2O4S/c1-12-5-7-13(8-6-12)21(18,19)16(2)11-14(17)20-10-4-3-9-15/h5-8H,3-4,10-11H2,1-2H3