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

Systemtic Name: 2-azanyl-2-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]propane-1,3-diol Openeye Name: 2-amino-2-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]ethyl]propane-1,3-diol CAS Name: 2-amino-2-[2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]ethyl]propane-1,3-diol IUPAC Name: 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol Traditional Name: 2-amino-2-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]ethyl]propane-1,3-diol Formula: C24H26ClNO3S MolecularWeight: 443.98614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl

InChI

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