(2-methylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (2-methylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: o-tolylmethyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (2-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO4S/c1-17-7-3-4-8-19(17)16-26-21(23)15-18-9-11-20(12-10-18)27(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-16H2,1H3