N-[5-tert-butyl-2-(5-nitropyridin-2-yl)pyrazol-3-yl]octane-1-sulfonamide

Systemtic Name: N-[5-tert-butyl-2-(5-nitropyridin-2-yl)pyrazol-3-yl]octane-1-sulfonamide Openeye Name: N-[5-tert-butyl-2-(5-nitro-2-pyridyl)pyrazol-3-yl]octane-1-sulfonamide CAS Name: N-[5-tert-butyl-2-(5-nitro-2-pyridinyl)-3-pyrazolyl]-1-octanesulfonamide IUPAC Name: N-[5-tert-butyl-2-(5-nitropyridin-2-yl)pyrazol-3-yl]octane-1-sulfonamide Traditional Name: N-[5-tert-butyl-2-(5-nitro-2-pyridyl)pyrazol-3-yl]octane-1-sulfonamide Formula: C20H31N5O4S MolecularWeight: 437.55624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC(=NN1C2=NC=C(C=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC(=NN1C2=NC=C(C=C2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C20H31N5O4S/c1-5-6-7-8-9-10-13-30(28,29)23-19-14-17(20(2,3)4)22-24(19)18-12-11-16(15-21-18)25(26)27/h11-12,14-15,23H,5-10,13H2,1-4H3