(phenylmethyl) 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid benzyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S2/c25-19(28-14-16-6-2-1-3-7-16)15-30-21-23-22-20(29-21)17-8-10-18(11-9-17)31(26,27)24-12-4-5-13-24/h1-3,6-11H,4-5,12-15H2