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

Systemtic Name: N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-methyl-1-pyrazolyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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