(3,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (3,5-dimethylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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