3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexan-2-ol

Systemtic Name: 3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexan-2-ol Openeye Name: 3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]hexan-2-ol CAS Name: 3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-hexanol IUPAC Name: 3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]hexan-2-ol Traditional Name: 3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]hexan-2-ol Formula: C25H28ClNO2S MolecularWeight: 442.01332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N)O

Isomeric SMILES

CC(C(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N)O

InChI

InChI=1S/C25H28ClNO2S/c1-18(28)25(27)12-5-9-20-13-14-23(16-24(20)26)30-22-11-6-10-21(15-22)29-17-19-7-3-2-4-8-19/h2-4,6-8,10-11,13-16,18,25,28H,5,9,12,17,27H2,1H3