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

Systemtic Name: N-[3-(3-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3-methyl-1-pyrazolyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylpyrazol-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-11-6-9-16(15-11)8-3-7-14-22(20,21)13-5-2-4-12(10-13)17(18)19/h2,4-6,9-10,14H,3,7-8H2,1H3