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

Systemtic Name: sodium 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: sodium 2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: sodium 2-[4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetate IUPAC Name: sodium 2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: sodium 2-[4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetate Formula: C22H24N3NaO3S MolecularWeight: 433.49903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C22H25N3O3S.Na/c1-2-12-29-22-23-13-19(15-26)25(22)14-16-8-10-18(11-9-16)24-20(21(27)28)17-6-4-3-5-7-17;/h3-11,13,20,24,26H,2,12,14-15H2,1H3,(H,27,28);/q;+1/p-1