(3S)-N-[2-(4-bromanylpyrazol-1-yl)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-bromanylpyrazol-1-yl)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-bromo-1-pyrazolyl)ethyl]-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C16H23BrN6O3S MolecularWeight: 459.36122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3C=C(C=N3)Br

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCN3C=C(C=N3)Br

InChI

InChI=1S/C16H23BrN6O3S/c1-12-15(9-19-21(12)2)27(25,26)23-6-3-4-13(10-23)16(24)18-5-7-22-11-14(17)8-20-22/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,24)/t13-/m0/s1