4-[(2-methoxycarbonylphenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-methoxycarbonylphenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-methoxycarbonylphenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2-methoxycarbonylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2-methoxycarbonylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2-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=C1C(=O)OC

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC=C1C(=O)OC

InChI

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