(4-tert-butylphenyl) 2-azanyl-1,3-benzothiazole-5-sulfonate

Systemtic Name: (4-tert-butylphenyl) 2-azanyl-1,3-benzothiazole-5-sulfonate Openeye Name: (4-tert-butylphenyl) 2-amino-1,3-benzothiazole-5-sulfonate CAS Name: 2-amino-1,3-benzothiazole-5-sulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-amino-1,3-benzothiazole-5-sulfonate Traditional Name: 2-amino-1,3-benzothiazole-5-sulfonic acid (4-tert-butylphenyl) ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)N

InChI

InChI=1S/C17H18N2O3S2/c1-17(2,3)11-4-6-12(7-5-11)22-24(20,21)13-8-9-15-14(10-13)19-16(18)23-15/h4-10H,1-3H3,(H2,18,19)