[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H21N3O5S/c1-15-7-8-20(26)19(11-15)21(27)17-13-23-25(14-17)22(28)16-5-4-6-18(12-16)31(29,30)24-9-2-3-10-24/h4-8,11-14,26H,2-3,9-10H2,1H3