(2-cyanophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-cyanophenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22N2O4S/c1-16-9-10-17(13-20(16)28(25,26)23-11-5-2-6-12-23)21(24)27-15-19-8-4-3-7-18(19)14-22/h3-4,7-10,13H,2,5-6,11-12,15H2,1H3