4-methoxy-3-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: 4-methoxy-3-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]benzenesulfonic acid Openeye Name: 4-methoxy-3-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]benzenesulfonic acid CAS Name: 4-methoxy-3-[[(2-methoxy-5-sulfoanilino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid Traditional Name: 4-methoxy-3-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]besylic acid Formula: C15H16N2O9S2 MolecularWeight: 432.42554

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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)