4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CS(=O)(=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CS(=O)(=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O4S/c23-13-16-5-7-17(8-6-16)14-30(27,28)15-21(26)25-11-9-18(10-12-25)22-24-19-3-1-2-4-20(19)29-22/h1-8,18H,9-12,14-15H2