1-[(4-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C19H25BrN4O3S MolecularWeight: 469.3958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CN=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CN=C2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H25BrN4O3S/c20-18-4-2-16(3-5-18)14-28(26,27)24-11-6-17(7-12-24)19(25)22-8-1-10-23-13-9-21-15-23/h2-5,9,13,15,17H,1,6-8,10-12,14H2,(H,22,25)