6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate

Systemtic Name: 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 6-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-1,3-benzoxazol-2-olate Formula: C14H17N2O4S- MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(O3)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(O3)[O-])C

InChI

InChI=1S/C14H18N2O4S/c1-9-5-10(2)8-16(7-9)21(18,19)11-3-4-12-13(6-11)20-14(17)15-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,17)/p-1/t9-,10-/m0/s1