N-tert-butyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[2-[4-(1-pyrazolyl)phenyl]ethylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-21(2,3)24-31(29,30)18-9-10-19(20(15-18)26(27)28)22-13-11-16-5-7-17(8-6-16)25-14-4-12-23-25/h4-10,12,14-15,22,24H,11,13H2,1-3H3