(4-phenylmethoxyphenyl) 4-[[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]methyl]benzenesulfinate

Systemtic Name: (4-phenylmethoxyphenyl) 4-[[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]methyl]benzenesulfinate Openeye Name: (4-benzyloxyphenyl) 4-[[2-chloro-5-(hexadecylsulfonylamino)phenyl]methyl]benzenesulfinate CAS Name: 4-[[2-chloro-5-(hexadecylsulfonylamino)phenyl]methyl]benzenesulfinic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-[[2-chloro-5-(hexadecylsulfonylamino)phenyl]methyl]benzenesulfinate Traditional Name: 4-[5-(cetylsulfonylamino)-2-chloro-benzyl]benzenesulfinic acid (4-benzoxyphenyl) ester Formula: C42H54ClNO5S2 MolecularWeight: 752.46486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)CC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)CC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C42H54ClNO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-31-51(46,47)44-38-23-30-42(43)37(33-38)32-35-21-28-41(29-22-35)50(45)49-40-26-24-39(25-27-40)48-34-36-19-16-15-17-20-36/h15-17,19-30,33,44H,2-14,18,31-32,34H2,1H3