3-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Openeye Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide CAS Name: 3-nitro-N-[3-(1-pyrazolyl)propyl]benzenesulfonamide IUPAC Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Traditional Name: 3-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCN2C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCN2C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c17-16(18)11-4-1-5-12(10-11)21(19,20)14-7-3-9-15-8-2-6-13-15/h1-2,4-6,8,10,14H,3,7,9H2