2-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H21ClN3O3S2- MolecularWeight: 462.99274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S2/c1-2-6-17-13-20(26)25-21(24-17)29-19(15-7-4-3-5-8-15)14-23-30(27,28)18-11-9-16(22)10-12-18/h3-5,7-13,19,23H,2,6,14H2,1H3,(H,24,25,26)/p-1/t19-/m1/s1