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

Systemtic Name: (2-ethyl-4-methyl-1-methylsulfonyl-3-oxidanyl-pyrazolidin-4-yl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone Openeye Name: [4-(2-allyloxyphenyl)phenyl]-(2-ethyl-3-hydroxy-4-methyl-1-methylsulfonyl-pyrazolidin-4-yl)methanone CAS Name: (2-ethyl-3-hydroxy-4-methyl-1-methylsulfonyl-4-pyrazolidinyl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone IUPAC Name: (2-ethyl-3-hydroxy-4-methyl-1-methylsulfonylpyrazolidin-4-yl)-[4-(2-prop-2-enoxyphenyl)phenyl]methanone Traditional Name: [4-(2-allyloxyphenyl)phenyl]-(2-ethyl-3-hydroxy-1-mesyl-4-methyl-pyrazolidin-4-yl)methanone Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(CN1S(=O)(=O)C)(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3OCC=C)O

Isomeric SMILES

CCN1C(C(CN1S(=O)(=O)C)(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3OCC=C)O

InChI

InChI=1S/C23H28N2O5S/c1-5-15-30-20-10-8-7-9-19(20)17-11-13-18(14-12-17)21(26)23(3)16-25(31(4,28)29)24(6-2)22(23)27/h5,7-14,22,27H,1,6,15-16H2,2-4H3