sodium 1-[[4-(2-methylpropoxycarbonyl)phenyl]amino]ethanesulfonate

Systemtic Name: sodium 1-[[4-(2-methylpropoxycarbonyl)phenyl]amino]ethanesulfonate Openeye Name: sodium 1-(4-isobutoxycarbonylanilino)ethanesulfonate CAS Name: sodium 1-[4-[2-methylpropoxy(oxo)methyl]anilino]ethanesulfonate IUPAC Name: sodium 1-[4-(2-methylpropoxycarbonyl)anilino]ethanesulfonate Traditional Name: sodium 1-(4-isobutoxycarbonylanilino)ethanesulfonate Formula: C13H18NNaO5S MolecularWeight: 323.34049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO5S.Na/c1-9(2)8-19-13(15)11-4-6-12(7-5-11)14-10(3)20(16,17)18;/h4-7,9-10,14H,8H2,1-3H3,(H,16,17,18);/q;+1/p-1