4-phenylbutyl (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(3H-benzimidazol-5-ylsulfamoyl)pipecolinic acid 4-phenylbutyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C23H28N4O4S/c28-23(31-15-7-5-10-18-8-2-1-3-9-18)22-11-4-6-14-27(22)32(29,30)26-19-12-13-20-21(16-19)25-17-24-20/h1-3,8-9,12-13,16-17,22,26H,4-7,10-11,14-15H2,(H,24,25)/t22-/m0/s1