2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pentane-1,5-diol

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pentane-1,5-diol Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]pentane-1,5-diol CAS Name: 2-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]pentane-1,5-diol IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]pentane-1,5-diol Traditional Name: 2-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]pentane-1,5-diol Formula: C27H32ClNO3S MolecularWeight: 486.06588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClNO3S/c28-26-18-25(13-12-22(26)9-5-14-27(29,20-31)15-6-16-30)33-24-11-4-10-23(17-24)32-19-21-7-2-1-3-8-21/h1-4,7-8,10-13,17-18,30-31H,5-6,9,14-16,19-20,29H2