(4-phenylmethoxyphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-benzyloxyphenyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-benzoxyphenyl) ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c1-20-10-15-24(33(29,30)27-16-6-3-7-17-27)18-25(20)26(28)32-23-13-11-22(12-14-23)31-19-21-8-4-2-5-9-21/h2,4-5,8-15,18H,3,6-7,16-17,19H2,1H3