sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate

Systemtic Name: sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate Openeye Name: sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate CAS Name: sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate IUPAC Name: sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate Traditional Name: sodium 2-(4-aminophenyl)-6-methyl-3H-1,3-benzothiazole-2-sulfonate Formula: C14H13N2NaO3S2 MolecularWeight: 344.38439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14N2O3S2.Na/c1-9-2-7-12-13(8-9)20-14(16-12,21(17,18)19)10-3-5-11(15)6-4-10;/h2-8,16H,15H2,1H3,(H,17,18,19);/q;+1/p-1