5-tert-butyl-4-(chloromethyl)-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)isoxazol-3-one CAS Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methylsulfonyl-2-tetradecylsulfonylphenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methylsulfonyl-2-tetradecylsulfonylphenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-4-(chloromethyl)-2-(4-mesyl-2-myristylsulfonyl-phenyl)-4-isoxazolin-3-one Formula: C29H46ClNO6S2 MolecularWeight: 604.26164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)N2C(=O)C(=C(O2)C(C)(C)C)CCl

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)N2C(=O)C(=C(O2)C(C)(C)C)CCl

InChI

InChI=1S/C29H46ClNO6S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-39(35,36)26-21-23(38(5,33)34)18-19-25(26)31-28(32)24(22-30)27(37-31)29(2,3)4/h18-19,21H,6-17,20,22H2,1-5H3