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

Systemtic Name: 4-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Openeye Name: 4-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide CAS Name: 4-nitro-N-[3-(1-pyrazolyl)propyl]benzenesulfonamide IUPAC Name: 4-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Traditional Name: 4-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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