N-(4-chlorophenyl)-3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N-(4-chlorophenyl)-3-[[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N-(4-chlorophenyl)-3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22ClN5O4S/c1-14-12-15(2)27(25-14)11-10-20(28)23-24-21(29)16-4-3-5-19(13-16)32(30,31)26-18-8-6-17(22)7-9-18/h3-9,12-13,26H,10-11H2,1-2H3,(H,23,28)(H,24,29)