3-[5-azanyl-3-methylsulfonyl-4-(phenylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-3-methylsulfonyl-4-(phenylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-(5-amino-4-benzoyl-3-methylsulfonyl-pyrazol-1-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-(5-amino-4-benzoyl-3-methylsulfonyl-1-pyrazolyl)-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-(5-amino-4-benzoyl-3-methylsulfonylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(5-amino-4-benzoyl-3-mesyl-pyrazol-1-yl)-N-cyclopropyl-4-methyl-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C(=N3)S(=O)(=O)C)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C(=N3)S(=O)(=O)C)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C22H22N4O4S/c1-13-8-9-15(21(28)24-16-10-11-16)12-17(13)26-20(23)18(22(25-26)31(2,29)30)19(27)14-6-4-3-5-7-14/h3-9,12,16H,10-11,23H2,1-2H3,(H,24,28)