methyl 2-[(2-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(2-cyanophenyl)methylsulfonylamino]-3-methyl-butanoate CAS Name: 2-[(2-cyanophenyl)methylsulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-cyanophenyl)methylsulfonylamino]-3-methylbutanoate Traditional Name: 2-[(2-cyanobenzyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)CC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)CC1=CC=CC=C1C#N

InChI

InChI=1S/C14H18N2O4S/c1-10(2)13(14(17)20-3)16-21(18,19)9-12-7-5-4-6-11(12)8-15/h4-7,10,13,16H,9H2,1-3H3