6-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(O3)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(O3)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-2-15-5-7-16(8-6-15)21(18,19)10-3-4-11-12(9-10)20-13(17)14-11/h3-4,9H,2,5-8H2,1H3,(H,14,17)