N,N-diethyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-[4-(1-pyrazolyl)phenyl]ethylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Traditional Name: N,N-diethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-3-24(4-2)31(29,30)19-10-11-20(21(16-19)26(27)28)22-14-12-17-6-8-18(9-7-17)25-15-5-13-23-25/h5-11,13,15-16,22H,3-4,12,14H2,1-2H3