(phenylmethyl) (2R)-4-[5-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-4-[5-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl (2R)-4-[5-chloro-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazine-1-carboxylate CAS Name: (2R)-4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-4-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperazine-1-carboxylate Traditional Name: (2R)-4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C26H27ClN2O3S MolecularWeight: 483.02218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)SC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27ClN2O3S/c1-19-17-28(14-15-29(19)26(30)32-18-20-6-4-3-5-7-20)24-16-21(27)8-13-25(24)33-23-11-9-22(31-2)10-12-23/h3-13,16,19H,14-15,17-18H2,1-2H3/t19-/m1/s1