4-phenylbutyl (2S)-1-[(6-methoxypyridin-3-yl)sulfamoyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-[(6-methoxypyridin-3-yl)sulfamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(6-methoxy-3-pyridyl)sulfamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(6-methoxy-3-pyridinyl)sulfamoyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(6-methoxypyridin-3-yl)sulfamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(6-methoxy-3-pyridyl)sulfamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NS(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=NC=C(C=C1)NS(=O)(=O)N2CCCC[C@H]2C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S/c1-29-21-14-13-19(17-23-21)24-31(27,28)25-15-7-5-12-20(25)22(26)30-16-8-6-11-18-9-3-2-4-10-18/h2-4,9-10,13-14,17,20,24H,5-8,11-12,15-16H2,1H3/t20-/m0/s1