sodium 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate

Systemtic Name: sodium 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: sodium 2-[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: sodium 2-[4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetate IUPAC Name: sodium 2-[4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: sodium 2-[4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetate Formula: C20H20N3NaO3S MolecularWeight: 405.44587

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C20H21N3O3S.Na/c1-27-20-21-11-17(13-24)23(20)12-14-7-9-16(10-8-14)22-18(19(25)26)15-5-3-2-4-6-15;/h2-11,18,22,24H,12-13H2,1H3,(H,25,26);/q;+1/p-1