N-[4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-oxidanyl-butan-2-yl]ethanamide

Systemtic Name: N-[4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-oxidanyl-butan-2-yl]ethanamide Openeye Name: N-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1-(hydroxymethyl)propyl]acetamide CAS Name: N-[4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1-hydroxybutan-2-yl]acetamide IUPAC Name: N-[4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-hydroxybutan-2-yl]acetamide Traditional Name: N-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-methylol-propyl]acetamide Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)CO

Isomeric SMILES

CC(=O)NC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)CO

InChI

InChI=1S/C25H26ClNO3S/c1-18(29)27-21(16-28)12-10-20-11-13-24(15-25(20)26)31-23-9-5-8-22(14-23)30-17-19-6-3-2-4-7-19/h2-9,11,13-15,21,28H,10,12,16-17H2,1H3,(H,27,29)