4-[(3-methoxycarbonylphenyl)sulfonyl-methyl-amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C13H17NO6S/c1-14(8-4-7-12(15)16)21(18,19)11-6-3-5-10(9-11)13(17)20-2/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,16)