[(2R)-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-2-yl]methanol

Systemtic Name: [(2R)-4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-2-yl]methanol Openeye Name: [(2R)-4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-methyl-piperazin-2-yl]methanol CAS Name: [(2R)-4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-2-piperazinyl]methanol IUPAC Name: [(2R)-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methylpiperazin-2-yl]methanol Traditional Name: [(2R)-4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-methyl-piperazin-2-yl]methanol Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1)C2=C(C=C(C=C2)SC3=CC=CC(=C3)OCC4=CC=CC=C4)Cl)CO

Isomeric SMILES

C[C@@]1(CN(CCN1)C2=C(C=C(C=C2)SC3=CC=CC(=C3)OCC4=CC=CC=C4)Cl)CO

InChI

InChI=1S/C25H27ClN2O2S/c1-25(18-29)17-28(13-12-27-25)24-11-10-22(15-23(24)26)31-21-9-5-8-20(14-21)30-16-19-6-3-2-4-7-19/h2-11,14-15,27,29H,12-13,16-18H2,1H3/t25-/m1/s1