N-[3-(4-chloranylpyrazol-1-yl)propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-chloranylpyrazol-1-yl)propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(4-chloro-1-pyrazolyl)propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitro-benzenesulfonamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O4S/c13-10-8-14-16(9-10)7-1-6-15-22(20,21)12-4-2-11(3-5-12)17(18)19/h2-5,8-9,15H,1,6-7H2