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

Systemtic Name: 2-[(1S,2R)-2-(phenylsulfonylamino)cyclohexyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S,2R)-2-(benzenesulfonamido)cyclohexyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S,2R)-2-(benzenesulfonamido)cyclohexyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S,2R)-2-(benzenesulfonamido)cyclohexyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S,2R)-2-(benzenesulfonamido)cyclohexyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H24N3O3S2- MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-2-8-14-13-18(23)21-19(20-14)26-17-12-7-6-11-16(17)22-27(24,25)15-9-4-3-5-10-15/h3-5,9-10,13,16-17,22H,2,6-8,11-12H2,1H3,(H,20,21,23)/p-1/t16-,17+/m1/s1