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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O3S/c20-18-4-1-3-16(13-18)14-28(26,27)24-10-5-17(6-11-24)19(25)22-7-2-9-23-12-8-21-15-23/h1,3-4,8,12-13,15,17H,2,5-7,9-11,14H2,(H,22,25)