N-[2-(4-nitropyrazol-1-yl)ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-nitropyrazol-1-yl)ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-nitro-1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(4-nitropyrazol-1-yl)ethyl]isonipecotamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5S/c23-17(18-8-11-20-13-15(12-19-20)22(24)25)14-6-9-21(10-7-14)28(26,27)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,18,23)