2-azanyl-2-[2-chloranyl-4-[[5-(phenylmethyl)-2H-pyran-6-yl]sulfanyl]phenyl]pentane-1,3-diol

Systemtic Name: 2-azanyl-2-[2-chloranyl-4-[[5-(phenylmethyl)-2H-pyran-6-yl]sulfanyl]phenyl]pentane-1,3-diol Openeye Name: 2-amino-2-[4-[(5-benzyl-2H-pyran-6-yl)sulfanyl]-2-chloro-phenyl]pentane-1,3-diol CAS Name: 2-amino-2-[2-chloro-4-[[5-(phenylmethyl)-2H-pyran-6-yl]thio]phenyl]pentane-1,3-diol IUPAC Name: 2-amino-2-[4-[(5-benzyl-2H-pyran-6-yl)sulfanyl]-2-chlorophenyl]pentane-1,3-diol Traditional Name: 2-amino-2-[4-[(5-benzyl-2H-pyran-6-yl)thio]-2-chloro-phenyl]pentane-1,3-diol Formula: C23H26ClNO3S MolecularWeight: 431.97544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CO)(C1=C(C=C(C=C1)SC2=C(C=CCO2)CC3=CC=CC=C3)Cl)N)O

Isomeric SMILES

CCC(C(CO)(C1=C(C=C(C=C1)SC2=C(C=CCO2)CC3=CC=CC=C3)Cl)N)O

InChI

InChI=1S/C23H26ClNO3S/c1-2-21(27)23(25,15-26)19-11-10-18(14-20(19)24)29-22-17(9-6-12-28-22)13-16-7-4-3-5-8-16/h3-11,14,21,26-27H,2,12-13,15,25H2,1H3