N,N-diethyl-3-[[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[[1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]carbamoyl]benzenesulfonamide Formula: C21H22N6O6S MolecularWeight: 486.50098

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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(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O6S/c1-3-25(4-2)34(32,33)19-7-5-6-15(12-19)20(28)23-24-21(29)16-13-22-26(14-16)17-8-10-18(11-9-17)27(30)31/h5-14H,3-4H2,1-2H3,(H,23,28)(H,24,29)