2-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid

Systemtic Name: 2-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid Openeye Name: 2-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid CAS Name: 2-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid IUPAC Name: 2-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid Traditional Name: 2-[(3-carbomethoxybenzyl)sulfonylamino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C13H17NO6S/c1-3-11(12(15)16)14-21(18,19)8-9-5-4-6-10(7-9)13(17)20-2/h4-7,11,14H,3,8H2,1-2H3,(H,15,16)