1,3-benzoxazol-2-ylmethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C24H28N2O5S/c1-15-13-16(2)18(4)23(17(15)3)32(28,29)26-11-9-19(10-12-26)24(27)30-14-22-25-20-7-5-6-8-21(20)31-22/h5-8,13,19H,9-12,14H2,1-4H3