sodium 2-[[[4-(methoxyamino)phenyl]amino]carbamoylsulfanyl]-1,3-benzothiazole-6-sulfonate

Systemtic Name: sodium 2-[[[4-(methoxyamino)phenyl]amino]carbamoylsulfanyl]-1,3-benzothiazole-6-sulfonate Openeye Name: sodium 2-[[4-(methoxyamino)anilino]carbamoylsulfanyl]-1,3-benzothiazole-6-sulfonate CAS Name: sodium 2-[[[[4-(methoxyamino)phenyl]hydrazo]-oxomethyl]thio]-1,3-benzothiazole-6-sulfonate IUPAC Name: sodium 2-[[4-(methoxyamino)anilino]carbamoylsulfanyl]-1,3-benzothiazole-6-sulfonate Traditional Name: sodium 2-[[4-(methoxyamino)anilino]carbamoylthio]-1,3-benzothiazole-6-sulfonate Formula: C15H13N4NaO5S3 MolecularWeight: 448.47229

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Descriptors Computed from Structure

Canonical SMILES:

CONC1=CC=C(C=C1)NNC(=O)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CONC1=CC=C(C=C1)NNC(=O)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H14N4O5S3.Na/c1-24-19-10-4-2-9(3-5-10)17-18-14(20)26-15-16-12-7-6-11(27(21,22)23)8-13(12)25-15;/h2-8,17,19H,1H3,(H,18,20)(H,21,22,23);/q;+1/p-1