N,N-diethyl-3-[[[3-(4-fluorophenyl)imidazol-4-yl]carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[[3-(4-fluorophenyl)imidazol-4-yl]carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[[3-(4-fluorophenyl)-4-imidazolyl]-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide Formula: C21H22FN5O4S MolecularWeight: 459.493883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CN=CN2C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CN=CN2C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5O4S/c1-3-26(4-2)32(30,31)18-7-5-6-15(12-18)20(28)24-25-21(29)19-13-23-14-27(19)17-10-8-16(22)9-11-17/h5-14H,3-4H2,1-2H3,(H,24,28)(H,25,29)