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

Systemtic Name: (2,6-dimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,6-dimethylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2,6-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-15-10-11-18(21(23)26-20-16(2)8-7-9-17(20)3)14-19(15)27(24,25)22-12-5-4-6-13-22/h7-11,14H,4-6,12-13H2,1-3H3