(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-N-[2-(4-nitro-1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]nipecotamide Formula: C16H23N7O5S MolecularWeight: 425.46272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O5S/c1-12-15(9-18-20(12)2)29(27,28)22-6-3-4-13(10-22)16(24)17-5-7-21-11-14(8-19-21)23(25)26/h8-9,11,13H,3-7,10H2,1-2H3,(H,17,24)/t13-/m0/s1