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

Systemtic Name: methyl 2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: methyl 2-methyl-3-(p-tolylsulfonylamino)pentanoate CAS Name: 2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-methyl-3-(tosylamino)valeric acid methyl ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C(C)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H21NO4S/c1-5-13(11(3)14(16)19-4)15-20(17,18)12-8-6-10(2)7-9-12/h6-9,11,13,15H,5H2,1-4H3