(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-N-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrazolidine-1-carboxamide

Systemtic Name: (3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-N-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrazolidine-1-carboxamide Openeye Name: (3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(3-nitrophenyl)-N-(p-tolylsulfonyl)pyrazolidine-1-carboxamide CAS Name: (3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-N-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)-1-pyrazolidinecarboxamide IUPAC Name: (3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-N-(4-methylphenyl)sulfonyl-5-(3-nitrophenyl)pyrazolidine-1-carboxamide Traditional Name: (3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(3-nitrophenyl)-N-tosyl-pyrazolidine-1-carboxamide Formula: C32H24BrN5O6S MolecularWeight: 686.53186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)N2)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(C/C(=C\3/C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)/N2)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H24BrN5O6S/c1-19-10-13-24(14-11-19)45(43,44)36-32(40)37-28(21-8-5-9-23(16-21)38(41)42)18-27(35-37)30-29(20-6-3-2-4-7-20)25-17-22(33)12-15-26(25)34-31(30)39/h2-17,28,35H,18H2,1H3,(H,36,40)/b30-27+