3,5-bis[[2,4-bis(2-methylbutan-2-yl)phenoxy]carbamoyl]benzenesulfonyl chloride

Systemtic Name: 3,5-bis[[2,4-bis(2-methylbutan-2-yl)phenoxy]carbamoyl]benzenesulfonyl chloride Openeye Name: 3,5-bis[[2,4-bis(1,1-dimethylpropyl)phenoxy]carbamoyl]benzenesulfonyl chloride CAS Name: 3,5-bis[[[2,4-bis(2-methylbutan-2-yl)phenoxy]amino]-oxomethyl]benzenesulfonyl chloride IUPAC Name: 3,5-bis[[2,4-bis(2-methylbutan-2-yl)phenoxy]carbamoyl]benzenesulfonyl chloride Traditional Name: 3,5-bis[(2,4-ditert-amylphenoxy)carbamoyl]benzenesulfonyl chloride Formula: C40H55ClN2O6S MolecularWeight: 727.3925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)ONC(=O)C2=CC(=CC(=C2)S(=O)(=O)Cl)C(=O)NOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)ONC(=O)C2=CC(=CC(=C2)S(=O)(=O)Cl)C(=O)NOC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C40H55ClN2O6S/c1-13-37(5,6)28-17-19-33(31(24-28)39(9,10)15-3)48-42-35(44)26-21-27(23-30(22-26)50(41,46)47)36(45)43-49-34-20-18-29(38(7,8)14-2)25-32(34)40(11,12)16-4/h17-25H,13-16H2,1-12H3,(H,42,44)(H,43,45)