2-[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclohexyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H23ClN3O3S2- MolecularWeight: 440.98722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C19H24ClN3O3S2/c1-2-5-14-12-18(24)22-19(21-14)27-17-7-4-3-6-16(17)23-28(25,26)15-10-8-13(20)9-11-15/h8-12,16-17,23H,2-7H2,1H3,(H,21,22,24)/p-1/t16-,17+/m1/s1