(2,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (2,5-dimethylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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