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

Systemtic Name: 4-phenylbutyl (2S)-1-[(6-chloranylpyridin-3-yl)sulfamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(6-chloro-3-pyridyl)sulfamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(6-chloro-3-pyridinyl)sulfamoyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(6-chloropyridin-3-yl)sulfamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(6-chloro-3-pyridyl)sulfamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)NC3=CN=C(C=C3)Cl

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)NC3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c22-20-13-12-18(16-23-20)24-30(27,28)25-14-6-4-11-19(25)21(26)29-15-7-5-10-17-8-2-1-3-9-17/h1-3,8-9,12-13,16,19,24H,4-7,10-11,14-15H2/t19-/m0/s1