2-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(1-pyrazolyl)propyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CC=N2

InChI

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