(4-methylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: p-tolylmethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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