N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide Openeye Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-4-nitro-benzenesulfonamide Formula: C27H36N6O4S MolecularWeight: 540.67754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H36N6O4S/c1-5-29-15-17-30(18-16-29)27-26(22(4)28-32(27)23-9-7-6-8-10-23)20-31(19-21(2)3)38(36,37)25-13-11-24(12-14-25)33(34)35/h6-14,21H,5,15-20H2,1-4H3