3-[2-[3-(1,3-benzothiazol-2-yldiazenyl)phenyl]ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-[2-[3-(1,3-benzothiazol-2-yldiazenyl)phenyl]ethylamino]propane-1-sulfonic acid Openeye Name: 3-[2-[3-(1,3-benzothiazol-2-ylazo)phenyl]ethylamino]propane-1-sulfonic acid CAS Name: 3-[2-[3-(1,3-benzothiazol-2-ylazo)phenyl]ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[2-[3-(1,3-benzothiazol-2-yldiazenyl)phenyl]ethylamino]propane-1-sulfonic acid Traditional Name: 3-[2-[3-(1,3-benzothiazol-2-ylazo)phenyl]ethylamino]propane-1-sulfonic acid Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=NC3=CC=CC(=C3)CCNCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N=NC3=CC=CC(=C3)CCNCCCS(=O)(=O)O

InChI

InChI=1S/C18H20N4O3S2/c23-27(24,25)12-4-10-19-11-9-14-5-3-6-15(13-14)21-22-18-20-16-7-1-2-8-17(16)26-18/h1-3,5-8,13,19H,4,9-12H2,(H,23,24,25)