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

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-1-[(1-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C16H23BrN6O3S MolecularWeight: 459.36122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(N=C3)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(N=C3)C

InChI

InChI=1S/C16H23BrN6O3S/c1-3-23-15(14(17)8-20-23)9-18-16(24)12-5-4-6-22(10-12)27(25,26)13-7-19-21(2)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,24)