4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)benzamide Openeye Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-N-(4-fluoro-3-morpholinosulfonyl-phenyl)benzamide CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 4-chloro-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzamide Formula: C28H27ClFN5O7S2 MolecularWeight: 664.124683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5)Cl

InChI

InChI=1S/C28H27ClFN5O7S2/c1-18-26(28(37)35(33(18)2)21-6-4-3-5-7-21)32-43(38,39)24-16-19(8-10-22(24)29)27(36)31-20-9-11-23(30)25(17-20)44(40,41)34-12-14-42-15-13-34/h3-11,16-17,32H,12-15H2,1-2H3,(H,31,36)