(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-13(2)20-22-19(30-23-20)12-29-21(25)16-6-7-17(28-5)18(9-16)31(26,27)24-10-14(3)8-15(4)11-24/h6-7,9,13-15H,8,10-12H2,1-5H3