tert-butyl (3S)-3-(2-methylprop-1-enyl)-2-(2,4,6-trimethylphenyl)sulfonyl-pyrazolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-methylprop-1-enyl)-2-(2,4,6-trimethylphenyl)sulfonyl-pyrazolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(2-methylprop-1-enyl)-2-(2,4,6-trimethylphenyl)sulfonyl-pyrazolidine-1-carboxylate CAS Name: (3S)-3-(2-methylprop-1-enyl)-2-(2,4,6-trimethylphenyl)sulfonyl-1-pyrazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-methylprop-1-enyl)-2-(2,4,6-trimethylphenyl)sulfonylpyrazolidine-1-carboxylate Traditional Name: (3S)-2-mesitylsulfonyl-3-(2-methylprop-1-enyl)pyrazolidine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(CCN2C(=O)OC(C)(C)C)C=C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2[C@@H](CCN2C(=O)OC(C)(C)C)C=C(C)C)C

InChI

InChI=1S/C21H32N2O4S/c1-14(2)11-18-9-10-22(20(24)27-21(6,7)8)23(18)28(25,26)19-16(4)12-15(3)13-17(19)5/h11-13,18H,9-10H2,1-8H3/t18-/m0/s1