4-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C26H32N6O5S MolecularWeight: 540.63448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O5S/c1-5-30(6-2)38(36,37)23-11-12-24(25(18-23)32(34)35)28-13-15-29(16-14-28)26(33)21-7-9-22(10-8-21)31-20(4)17-19(3)27-31/h7-12,17-18H,5-6,13-16H2,1-4H3