methyl 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O5S2/c1-29-21(26)17-10-8-16(9-11-17)15-31-22-24-23-20(30-22)18-6-5-7-19(14-18)32(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15H2,1H3