2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-carbomethoxyphenyl)sulfonylamino]-3-methyl-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8(2)11(12(15)16)14-21(18,19)10-6-4-9(5-7-10)13(17)20-3/h4-8,11,14H,1-3H3,(H,15,16)