N3-(4-methoxy-3-sulfamoyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-(4-methoxy-3-sulfamoyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-(4-methoxy-3-sulfamoyl-phenyl)benzene-1,3-disulfonamide CAS Name: N3-(4-methoxy-3-sulfamoylphenyl)benzene-1,3-disulfonamide IUPAC Name: 3-N-(4-methoxy-3-sulfamoylphenyl)benzene-1,3-disulfonamide Traditional Name: N'-(4-methoxy-3-sulfamoyl-phenyl)benzene-1,3-disulfonamide Formula: C13H15N3O7S3 MolecularWeight: 421.4691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C13H15N3O7S3/c1-23-12-6-5-9(7-13(12)25(15,19)20)16-26(21,22)11-4-2-3-10(8-11)24(14,17)18/h2-8,16H,1H3,(H2,14,17,18)(H2,15,19,20)