4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid

Systemtic Name: 4-[(6-azanyl-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid Openeye Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid CAS Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid IUPAC Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid Traditional Name: 4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid Formula: C14H10N2O4S2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C14H10N2O4S2/c15-9-3-6-11-12(7-9)21-14(16-11)22(19,20)10-4-1-8(2-5-10)13(17)18/h1-7H,15H2,(H,17,18)