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

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfinyl-phenyl]pentan-1-ol hydrochloride Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfinyl-2-chloro-phenyl]pentan-1-ol hydrochloride CAS Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfinylphenyl]-1-pentanol hydrochloride IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfinylphenyl]pentan-1-ol hydrochloride Traditional Name: 2-amino-5-[4-(3-benzoxyphenyl)sulfinyl-2-chloro-phenyl]pentan-1-ol hydrochloride Formula: C24H27Cl2NO3S MolecularWeight: 480.44708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)S(=O)C3=CC(=C(C=C3)CCCC(CO)N)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)S(=O)C3=CC(=C(C=C3)CCCC(CO)N)Cl.Cl

InChI

InChI=1S/C24H26ClNO3S.ClH/c25-24-15-23(13-12-19(24)8-4-9-20(26)16-27)30(28)22-11-5-10-21(14-22)29-17-18-6-2-1-3-7-18;/h1-3,5-7,10-15,20,27H,4,8-9,16-17,26H2;1H