(3,5-dimethylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (3,5-dimethylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16-11-17(2)13-18(12-16)15-26-21(23)19-7-6-8-20(14-19)27(24,25)22-9-4-3-5-10-22/h6-8,11-14H,3-5,9-10,15H2,1-2H3