2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol hydrochloride Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]hexane-1,3-diol hydrochloride CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]hexane-1,3-diol hydrochloride IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]hexane-1,3-diol hydrochloride Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]hexane-1,3-diol hydrochloride Formula: C25H29Cl2NO3S MolecularWeight: 494.47366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO3S.ClH/c1-17(12-25(29)24(27)15-28)22-11-10-21(14-23(22)26)31-20-9-5-8-19(13-20)30-16-18-6-3-2-4-7-18;/h2-11,13-14,17,24-25,28-29H,12,15-16,27H2,1H3;1H