sodium 2-[[4-[(4-dimethylaminophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoate

Systemtic Name: sodium 2-[[4-[(4-dimethylaminophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoate Openeye Name: sodium 2-[[4-[[4-(dimethylamino)benzoyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxy-propanoate CAS Name: sodium 2-[[4-[[(4-dimethylaminophenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoate IUPAC Name: sodium 2-[[4-[[4-(dimethylamino)benzoyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoate Traditional Name: sodium 2-[[4-[[4-(dimethylamino)benzoyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxy-propionate Formula: C25H25N2NaO7S MolecularWeight: 520.52997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(COC3=CC=CC=C3)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(COC3=CC=CC=C3)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C25H26N2O7S.Na/c1-27(2)20-12-8-18(9-13-20)23(28)26-19-10-14-22(15-11-19)35(32,33)17-25(31,24(29)30)16-34-21-6-4-3-5-7-21;/h3-15,31H,16-17H2,1-2H3,(H,26,28)(H,29,30);/q;+1/p-1