3-[[(4-fluorophenyl)carbonylamino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 3-[[(4-fluorophenyl)carbonylamino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 3-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-oxomethyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C21H17FN4O7S MolecularWeight: 488.445683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN4O7S/c1-33-19-10-9-16(26(29)30)12-18(19)25-34(31,32)17-4-2-3-14(11-17)21(28)24-23-20(27)13-5-7-15(22)8-6-13/h2-12,25H,1H3,(H,23,27)(H,24,28)