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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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