2-[4-[[3-(2-methylbutan-2-yl)-4-phenylmethoxy-phenyl]sulfonylamino]phenoxy]dodecanoyl chloride

Systemtic Name: 2-[4-[[3-(2-methylbutan-2-yl)-4-phenylmethoxy-phenyl]sulfonylamino]phenoxy]dodecanoyl chloride Openeye Name: 2-[4-[[4-benzyloxy-3-(1,1-dimethylpropyl)phenyl]sulfonylamino]phenoxy]dodecanoyl chloride CAS Name: 2-[4-[[3-(2-methylbutan-2-yl)-4-phenylmethoxyphenyl]sulfonylamino]phenoxy]dodecanoyl chloride IUPAC Name: 2-[4-[[3-(2-methylbutan-2-yl)-4-phenylmethoxyphenyl]sulfonylamino]phenoxy]dodecanoyl chloride Traditional Name: 2-[4-[(3-tert-amyl-4-benzoxy-phenyl)sulfonylamino]phenoxy]lauryl chloride Formula: C36H48ClNO5S MolecularWeight: 642.28802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)Cl)OC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(C)(C)CC

Isomeric SMILES

CCCCCCCCCCC(C(=O)Cl)OC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(C)(C)CC

InChI

InChI=1S/C36H48ClNO5S/c1-5-7-8-9-10-11-12-16-19-34(35(37)39)43-30-22-20-29(21-23-30)38-44(40,41)31-24-25-33(32(26-31)36(3,4)6-2)42-27-28-17-14-13-15-18-28/h13-15,17-18,20-26,34,38H,5-12,16,19,27H2,1-4H3