N-(3-aminocarbonyl-4-fluoranyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4-fluoranyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-4-fluoro-phenyl)piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-4-fluorophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(3-carbamoyl-4-fluoro-phenyl)nipecotamide Formula: C19H19BrFN3O4S MolecularWeight: 484.339263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=C(C=C3)F)C(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=C(C=C3)F)C(=O)N

InChI

InChI=1S/C19H19BrFN3O4S/c20-13-3-6-15(7-4-13)29(27,28)24-9-1-2-12(11-24)19(26)23-14-5-8-17(21)16(10-14)18(22)25/h3-8,10,12H,1-2,9,11H2,(H2,22,25)(H,23,26)