(3-phenoxyphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (3-phenoxyphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-piperidinecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpipecolinic acid (3-phenoxybenzyl) ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C28H31NO5S/c1-20-16-21(2)27(22(3)17-20)35(31,32)29-15-8-7-14-26(29)28(30)33-19-23-10-9-13-25(18-23)34-24-11-5-4-6-12-24/h4-6,9-13,16-18,26H,7-8,14-15,19H2,1-3H3