1-[2,5-bis(bromanyl)phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(bromanyl)phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide Openeye Name: 1-(2,5-dibromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide CAS Name: 1-(2,5-dibromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2,5-dibromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide Traditional Name: 1-(2,5-dibromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)isonipecotamide Formula: C14H15Br2N5O3S MolecularWeight: 493.1736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=NN2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=NN2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C14H15Br2N5O3S/c15-10-1-2-11(16)12(7-10)25(23,24)21-5-3-9(4-6-21)13(22)19-14-17-8-18-20-14/h1-2,7-9H,3-6H2,(H2,17,18,19,20,22)