(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)C

InChI

InChI=1S/C21H23N3O5S2/c1-14-8-15(2)11-24(10-14)31(26,27)18-5-3-4-16(9-18)21(25)28-12-19-22-20(23-29-19)17-6-7-30-13-17/h3-7,9,13-15H,8,10-12H2,1-2H3