2-[butyl-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[butyl-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[butyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[butyl-(4-chloro-3-nitrophenyl)sulfonylamino]-N-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[butyl-(4-chloro-3-nitrophenyl)sulfonylamino]-N-[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[butyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C28H28ClN5O5S MolecularWeight: 582.07042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN5O5S/c1-3-4-16-32(40(38,39)23-14-15-24(29)26(17-23)34(36)37)19-28(35)30-27-18-25(21-8-6-5-7-9-21)31-33(27)22-12-10-20(2)11-13-22/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,30,35)