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

Systemtic Name: 2-azanyl-2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol Openeye Name: 2-amino-2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]hexane-1,3-diol CAS Name: 2-amino-2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]hexane-1,3-diol IUPAC Name: 2-amino-2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]hexane-1,3-diol Traditional Name: 2-amino-2-[4-[(3-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(=C2)OCC3=CC=CC=C3)Cl)N)O

Isomeric SMILES

CCCC(C(CO)(C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N)O

InChI

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