sodium 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: sodium 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: sodium 3-(4-ethoxyphenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: sodium 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: sodium 3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: sodium 3-p-phenetyl-3-(tosylamino)propionate Formula: C18H20NNaO5S MolecularWeight: 385.40987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C.[Na+]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C.[Na+]

InChI

InChI=1S/C18H21NO5S.Na/c1-3-24-15-8-6-14(7-9-15)17(12-18(20)21)19-25(22,23)16-10-4-13(2)5-11-16;/h4-11,17,19H,3,12H2,1-2H3,(H,20,21);/q;+1/p-1