(4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-morpholin-4-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-morpholin-4-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(4-morpholinosulfonylanilino)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[4-(4-morpholinylsulfonyl)anilino]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(4-morpholin-4-ylsulfonylanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(4-morpholinosulfonylanilino)methylene]-2-pyrazolin-3-one Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O4S/c1-15-20(21(27)26(24-15)18-6-2-16(22)3-7-18)14-23-17-4-8-19(9-5-17)31(28,29)25-10-12-30-13-11-25/h2-9,14,23H,10-13H2,1H3/b20-14+