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

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]butane-1,4-diol Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]butane-1,4-diol CAS Name: 2-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]butane-1,4-diol IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]butane-1,4-diol Traditional Name: 2-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]butane-1,4-diol Formula: C26H30ClNO3S MolecularWeight: 472.0393

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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(CCO)(CO)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO3S/c27-25-17-24(12-11-21(25)8-5-13-26(28,19-30)14-15-29)32-23-10-4-9-22(16-23)31-18-20-6-2-1-3-7-20/h1-4,6-7,9-12,16-17,29-30H,5,8,13-15,18-19,28H2