disodium 1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonate

Systemtic Name: disodium 1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonate Openeye Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate CAS Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate IUPAC Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate Traditional Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate Formula: C15H16N2Na2O8S3 MolecularWeight: 494.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O8S3.2Na/c16-26(18,19)13-8-6-12(7-9-13)17-15(28(23,24)25)10-14(27(20,21)22)11-4-2-1-3-5-11;;/h1-9,14-15,17H,10H2,(H2,16,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2