6-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate

Systemtic Name: 6-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 6-[(4-benzyl-1-piperidyl)sulfonyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-(4-benzylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 6-(4-benzylpiperidino)sulfonyl-1,3-benzoxazol-2-olate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

InChI

InChI=1S/C19H20N2O4S/c22-19-20-17-7-6-16(13-18(17)25-19)26(23,24)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,20,22)/p-1