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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-13-6-7-15(18(21)24-12-16-10-14(2)19-25-16)11-17(13)26(22,23)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3