N-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-chloro-2-methyl-3-pyrazolyl)methyl]-1-(4-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-chloro-2-methylpyrazol-3-yl)methyl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]-1-nosyl-isonipecotamide Formula: C17H20ClN5O5S MolecularWeight: 441.8892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)Cl)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O5S/c1-21-16(15(18)10-20-21)11-19-17(24)12-6-8-22(9-7-12)29(27,28)14-4-2-13(3-5-14)23(25)26/h2-5,10,12H,6-9,11H2,1H3,(H,19,24)