N-butyl-4-chloranyl-N-[2-[2-(2-ethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-butyl-4-chloranyl-N-[2-[2-(2-ethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-chloro-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-chloro-N-[2-[1-(2-ethylphenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]-2-keto-ethyl]-3-nitro-benzenesulfonamide Formula: C29H29ClN4O6S MolecularWeight: 597.08176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2CC)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2CC)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H29ClN4O6S/c1-3-5-17-32(41(39,40)22-15-16-23(30)25(18-22)34(37)38)19-26(35)27-28(21-12-7-6-8-13-21)31-33(29(27)36)24-14-10-9-11-20(24)4-2/h6-16,18,31H,3-5,17,19H2,1-2H3