(2,3,6-trimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C22H27NO4S/c1-15-8-9-17(3)21(18(15)4)27-22(24)19-11-10-16(2)20(14-19)28(25,26)23-12-6-5-7-13-23/h8-11,14H,5-7,12-13H2,1-4H3