methyl 2-[(3-cyanophenyl)sulfonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-4-methyl-pentanoate CAS Name: 2-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 2-[(3-cyanophenyl)sulfonylamino]-4-methyl-valeric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C#N

InChI

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