4-methoxy-3-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]benzenesulfonate

Systemtic Name: 4-methoxy-3-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]benzenesulfonate Openeye Name: 4-methoxy-3-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]benzenesulfonate CAS Name: 4-methoxy-3-[[(2-methoxy-5-sulfonatoanilino)-oxomethyl]amino]benzenesulfonate IUPAC Name: 4-methoxy-3-[(2-methoxy-5-sulfonatophenyl)carbamoylamino]benzenesulfonate Traditional Name: 4-methoxy-3-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]besylate Formula: C15H14N2O9S2-2 MolecularWeight: 430.40966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC

InChI

InChI=1S/C15H16N2O9S2/c1-25-13-5-3-9(27(19,20)21)7-11(13)16-15(18)17-12-8-10(28(22,23)24)4-6-14(12)26-2/h3-8H,1-2H3,(H2,16,17,18)(H,19,20,21)(H,22,23,24)/p-2