4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]pyrazolidin-3-one

Systemtic Name: 4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]pyrazolidin-3-one Openeye Name: 4-[[4-[2-(2-phenyloxazol-4-yl)ethoxy]phenyl]methylsulfonyl]pyrazolidin-3-one CAS Name: 4-[[4-[2-(2-phenyl-4-oxazolyl)ethoxy]phenyl]methylsulfonyl]-3-pyrazolidinone IUPAC Name: 4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]pyrazolidin-3-one Traditional Name: 4-[4-[2-(2-phenyloxazol-4-yl)ethoxy]benzyl]sulfonylpyrazolidin-3-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NN1)S(=O)(=O)CC2=CC=C(C=C2)OCCC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)NN1)S(=O)(=O)CC2=CC=C(C=C2)OCCC3=COC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c25-20-19(12-22-24-20)30(26,27)14-15-6-8-18(9-7-15)28-11-10-17-13-29-21(23-17)16-4-2-1-3-5-16/h1-9,13,19,22H,10-12,14H2,(H,24,25)