(3S)-1-(4-bromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)-3-piperidinecarboximidate IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Traditional Name: (3S)-1-brosyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Formula: C14H15BrN5O3S- MolecularWeight: 413.2696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C14H16BrN5O3S/c15-11-3-5-12(6-4-11)24(22,23)20-7-1-2-10(8-20)13(21)18-14-16-9-17-19-14/h3-6,9-10H,1-2,7-8H2,(H2,16,17,18,19,21)/p-1/t10-/m0/s1