(2-tert-butyl-4-methyl-1-methylsulfonyl-3-oxidanyl-pyrazolidin-4-yl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone

Systemtic Name: (2-tert-butyl-4-methyl-1-methylsulfonyl-3-oxidanyl-pyrazolidin-4-yl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone Openeye Name: [4-(2-allyloxyphenyl)phenyl]-(2-tert-butyl-3-hydroxy-4-methyl-1-methylsulfonyl-pyrazolidin-4-yl)methanone CAS Name: (2-tert-butyl-3-hydroxy-4-methyl-1-methylsulfonyl-4-pyrazolidinyl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone IUPAC Name: (2-tert-butyl-3-hydroxy-4-methyl-1-methylsulfonylpyrazolidin-4-yl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone Traditional Name: [4-(2-allyloxyphenyl)phenyl]-(2-tert-butyl-3-hydroxy-1-mesyl-4-methyl-pyrazolidin-4-yl)methanone Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N(C1O)C(C)(C)C)S(=O)(=O)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3OCC=C

Isomeric SMILES

CC1(CN(N(C1O)C(C)(C)C)S(=O)(=O)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3OCC=C

InChI

InChI=1S/C25H32N2O5S/c1-7-16-32-21-11-9-8-10-20(21)18-12-14-19(15-13-18)22(28)25(5)17-26(33(6,30)31)27(23(25)29)24(2,3)4/h7-15,23,29H,1,16-17H2,2-6H3