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

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]heptane-1,3-diol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]heptane-1,3-diol CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]heptane-1,3-diol IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]heptane-1,3-diol Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]heptane-1,3-diol Formula: C26H30ClNO3S MolecularWeight: 472.0393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CO)N)O)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(CC(C(CO)N)O)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H30ClNO3S/c1-2-19(13-26(30)25(28)16-29)23-12-11-22(15-24(23)27)32-21-10-6-9-20(14-21)31-17-18-7-4-3-5-8-18/h3-12,14-15,19,25-26,29-30H,2,13,16-17,28H2,1H3