pyridin-2-ylmethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2-pyridylmethyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-14-5-4-10-22(12-14)27(24,25)18-11-15(7-8-17(18)20)19(23)26-13-16-6-2-3-9-21-16/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3/t14-/m0/s1