2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(phosphonatomethyl)pentan-1-ol hydrochloride

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(phosphonatomethyl)pentan-1-ol hydrochloride Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(phosphonatomethyl)pentan-1-ol hydrochloride CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-(phosphonatomethyl)-1-pentanol hydrochloride IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(phosphonatomethyl)pentan-1-ol hydrochloride Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(phosphonatomethyl)pentan-1-ol hydrochloride Formula: C25H28Cl2NO5PS-2 MolecularWeight: 556.438281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(CO)(CP(=O)([O-])[O-])N)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(CO)(CP(=O)([O-])[O-])N)Cl.Cl

InChI

InChI=1S/C25H29ClNO5PS.ClH/c26-24-15-23(12-11-20(24)8-5-13-25(27,17-28)18-33(29,30)31)34-22-10-4-9-21(14-22)32-16-19-6-2-1-3-7-19;/h1-4,6-7,9-12,14-15,28H,5,8,13,16-18,27H2,(H2,29,30,31);1H/p-2