sodium [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]methanesulfonate

Systemtic Name: sodium [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]methanesulfonate Openeye Name: sodium [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)phenyl]methanesulfonate CAS Name: sodium [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methanesulfonate IUPAC Name: sodium [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methanesulfonate Traditional Name: sodium [4-(2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)phenyl]methanesulfonate Formula: C17H22NNaO8S MolecularWeight: 423.41325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)CS(=O)(=O)[O-])(C(=O)OCC)NC(=O)C.[Na+]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)CS(=O)(=O)[O-])(C(=O)OCC)NC(=O)C.[Na+]

InChI

InChI=1S/C17H23NO8S.Na/c1-4-25-15(20)17(18-12(3)19,16(21)26-5-2)10-13-6-8-14(9-7-13)11-27(22,23)24;/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)(H,22,23,24);/q;+1/p-1