N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-mesyl-isonipecotamide Formula: C13H21BrN4O3S MolecularWeight: 393.29984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H21BrN4O3S/c1-3-18-12(11(14)8-16-18)9-15-13(19)10-4-6-17(7-5-10)22(2,20)21/h8,10H,3-7,9H2,1-2H3,(H,15,19)