(phenylmethyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: benzyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid benzyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O5S/c1-13-17(14(2)25-19-13)26(22,23)20-10-6-9-16(11-20)18(21)24-12-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3