pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H22N2O4S/c1-15-8-9-17(26(23,24)21-11-5-2-6-12-21)13-18(15)19(22)25-14-16-7-3-4-10-20-16/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3