3-chloranyl-4-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[3-(1-pyrazolyl)propyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide Formula: C13H15ClN4O4S MolecularWeight: 358.8006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O4S/c1-10-12(14)8-11(9-13(10)18(19)20)23(21,22)16-5-3-7-17-6-2-4-15-17/h2,4,6,8-9,16H,3,5,7H2,1H3