N,N-diethyl-2-[4-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-3-20(4-2)16(22)12-19-7-9-21(10-8-19)27(24,25)13-5-6-14-15(11-13)26-17(23)18-14/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,23)/p+1