N-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-nitro-benzenesulfonamide Formula: C14H17ClN4O4S MolecularWeight: 372.82718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H17ClN4O4S/c1-10-14(15)11(2)18(17-10)9-5-8-16-24(22,23)13-7-4-3-6-12(13)19(20)21/h3-4,6-7,16H,5,8-9H2,1-2H3