N-[(4-imidazol-1-ylphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(4-imidazol-1-ylbenzyl)isonipecotamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-23(25-16-19-6-8-22(9-7-19)26-15-12-24-18-26)21-10-13-27(14-11-21)31(29,30)17-20-4-2-1-3-5-20/h1-9,12,15,18,21H,10-11,13-14,16-17H2,(H,25,28)