[(1S,2R,4R,5R)-2-acetyloxy-4-(4-chlorophenyl)sulfanyl-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,4R,5R)-2-acetyloxy-4-(4-chlorophenyl)sulfanyl-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ethanoate Openeye Name: [(1S,2R,4R,5R)-2-acetoxy-4-(4-chlorophenyl)sulfanyl-5-(p-tolylsulfonylamino)cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,4R,5R)-2-acetyloxy-4-[(4-chlorophenyl)thio]-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] ester IUPAC Name: [(1S,2R,4R,5R)-2-acetyloxy-4-(4-chlorophenyl)sulfanyl-5-[(4-methylphenyl)sulfonylamino]cyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,4R,5R)-2-acetoxy-4-[(4-chlorophenyl)thio]-5-(tosylamino)cyclohexyl] ester Formula: C23H26ClNO6S2 MolecularWeight: 512.03864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(C(CC2SC3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H]([C@@H](C[C@H]2SC3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H26ClNO6S2/c1-14-4-10-19(11-5-14)33(28,29)25-20-12-21(30-15(2)26)22(31-16(3)27)13-23(20)32-18-8-6-17(24)7-9-18/h4-11,20-23,25H,12-13H2,1-3H3/t20-,21+,22-,23-/m1/s1