5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-1,3-benzoxazol-2-olate CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-1,3-benzoxazol-2-olate Formula: C19H16N3O4S2- MolecularWeight: 414.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OC(=N5)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OC(=N5)[O-]

InChI

InChI=1S/C19H17N3O4S2/c23-19-21-15-11-13(5-6-16(15)26-19)28(24,25)22-9-7-12(8-10-22)18-20-14-3-1-2-4-17(14)27-18/h1-6,11-12H,7-10H2,(H,21,23)/p-1