N-[2-(4-chloranylpyrazol-1-yl)ethyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chloranylpyrazol-1-yl)ethyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(4-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-chloro-1-pyrazolyl)ethyl]-1-(4-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chloropyrazol-1-yl)ethyl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-chloropyrazol-1-yl)ethyl]-1-nosyl-isonipecotamide Formula: C17H20ClN5O5S MolecularWeight: 441.8892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2C=C(C=N2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2C=C(C=N2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O5S/c18-14-11-20-21(12-14)10-7-19-17(24)13-5-8-22(9-6-13)29(27,28)16-3-1-15(2-4-16)23(25)26/h1-4,11-13H,5-10H2,(H,19,24)