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

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(4-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[4-(4-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[2-chloro-4-[(4-phenylmethoxyphenyl)thio]phenyl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[2-chloro-4-(4-phenylmethoxyphenyl)sulfanylphenyl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[4-[(4-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]propane-1,3-diol Formula: C25H28ClNO3S MolecularWeight: 458.01272

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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)CCCC(CO)(CO)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO3S/c26-24-15-23(11-8-20(24)7-4-14-25(27,17-28)18-29)31-22-12-9-21(10-13-22)30-16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,28-29H,4,7,14,16-18,27H2