2-[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenylpropyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenylpropyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(3S)-3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H23ClN3O3S2- MolecularWeight: 477.01932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C22H24ClN3O3S2/c1-2-6-18-15-21(27)25-22(24-18)30-14-13-20(16-7-4-3-5-8-16)26-31(28,29)19-11-9-17(23)10-12-19/h3-5,7-12,15,20,26H,2,6,13-14H2,1H3,(H,24,25,27)/p-1/t20-/m0/s1