(2,5-dimethylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (2,5-dimethylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-16-7-8-17(2)19(13-16)15-27-22(24)21-14-20(10-9-18(21)3)28(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12,15H2,1-3H3