2-azanyl-2-[2-chloranyl-4-(2-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol

Systemtic Name: 2-azanyl-2-[2-chloranyl-4-(2-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol Openeye Name: 2-amino-2-[4-(2-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]hexane-1,3-diol CAS Name: 2-amino-2-[2-chloro-4-[(2-phenylmethoxyphenyl)thio]phenyl]hexane-1,3-diol IUPAC Name: 2-amino-2-[2-chloro-4-(2-phenylmethoxyphenyl)sulfanylphenyl]hexane-1,3-diol Traditional Name: 2-amino-2-[4-[(2-benzoxyphenyl)thio]-2-chloro-phenyl]hexane-1,3-diol Formula: C25H28ClNO3S MolecularWeight: 458.01272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)(C1=C(C=C(C=C1)SC2=CC=CC=C2OCC3=CC=CC=C3)Cl)N)O

Isomeric SMILES

CCCC(C(CO)(C1=C(C=C(C=C1)SC2=CC=CC=C2OCC3=CC=CC=C3)Cl)N)O

InChI

InChI=1S/C25H28ClNO3S/c1-2-8-24(29)25(27,17-28)20-14-13-19(15-21(20)26)31-23-12-7-6-11-22(23)30-16-18-9-4-3-5-10-18/h3-7,9-15,24,28-29H,2,8,16-17,27H2,1H3