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

Systemtic Name: sodium 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: sodium 3-(4-methoxyphenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: sodium 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: sodium 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: sodium 3-(4-methoxyphenyl)-3-(tosylamino)propionate Formula: C17H18NNaO5S MolecularWeight: 371.38329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C=C2)OC.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C=C2)OC.[Na+]

InChI

InChI=1S/C17H19NO5S.Na/c1-12-3-9-15(10-4-12)24(21,22)18-16(11-17(19)20)13-5-7-14(23-2)8-6-13;/h3-10,16,18H,11H2,1-2H3,(H,19,20);/q;+1/p-1