4-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid

Systemtic Name: 4-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid Openeye Name: 4-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid CAS Name: 4-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid IUPAC Name: 4-[(3-methoxycarbonylphenyl)methylsulfonylamino]butanoic acid Traditional Name: 4-[(3-carbomethoxybenzyl)sulfonylamino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)NCCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C13H17NO6S/c1-20-13(17)11-5-2-4-10(8-11)9-21(18,19)14-7-3-6-12(15)16/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,15,16)