N-[2-chloranyl-4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-3-mesyl-benzamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C22H23ClN4O4S/c1-14-11-15(2)27(26-14)10-9-21(28)24-17-7-8-20(19(23)13-17)25-22(29)16-5-4-6-18(12-16)32(3,30)31/h4-8,11-13H,9-10H2,1-3H3,(H,24,28)(H,25,29)