(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic 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 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O5S/c1-13(2)18-20-17(27-21-18)12-26-19(23)15-8-7-14(3)16(11-15)28(24,25)22-9-5-4-6-10-22/h7-8,11,13H,4-6,9-10,12H2,1-3H3