N-[4-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C20H20N6O6S MolecularWeight: 472.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N6O6S/c1-13-10-14(2)25(23-13)12-19(27)21-22-20(28)15-6-8-16(9-7-15)24-33(31,32)18-5-3-4-17(11-18)26(29)30/h3-11,24H,12H2,1-2H3,(H,21,27)(H,22,28)