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

Systemtic Name: 2-azanyl-2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]pentane-1,3-diol hydrochloride Openeye Name: 2-amino-2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]pentane-1,3-diol hydrochloride CAS Name: 2-amino-2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]pentane-1,3-diol hydrochloride IUPAC Name: 2-amino-2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]pentane-1,3-diol hydrochloride Traditional Name: 2-amino-2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]pentane-1,3-diol hydrochloride Formula: C24H27Cl2NO3S MolecularWeight: 480.44708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClNO3S.ClH/c1-2-23(28)24(26,16-27)21-12-11-20(14-22(21)25)30-19-10-6-9-18(13-19)29-15-17-7-4-3-5-8-17;/h3-14,23,27-28H,2,15-16,26H2,1H3;1H