4-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]butyric acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO6S/c1-14(8-4-5-13(15)16)21(17,18)12-9-10(19-2)6-7-11(12)20-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)