methyl 4-[4-chloranyl-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-pyrimidin-2-yl-pyrimidin-5-yl]oxy-3-propyl-benzoate

Systemtic Name: methyl 4-[4-chloranyl-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-pyrimidin-2-yl-pyrimidin-5-yl]oxy-3-propyl-benzoate Openeye Name: methyl 4-[4-chloro-2-pyrimidin-2-yl-6-[[(E)-styryl]sulfonylamino]pyrimidin-5-yl]oxy-3-propyl-benzoate CAS Name: 4-[[4-chloro-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-chloro-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-pyrimidin-2-ylpyrimidin-5-yl]oxy-3-propylbenzoate Traditional Name: 4-[4-chloro-2-(2-pyrimidyl)-6-[[(E)-styryl]sulfonylamino]pyrimidin-5-yl]oxy-3-propyl-benzoic acid methyl ester Formula: C27H24ClN5O5S MolecularWeight: 566.02796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC2=C(N=C(N=C2Cl)C3=NC=CC=N3)NS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC2=C(N=C(N=C2Cl)C3=NC=CC=N3)NS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H24ClN5O5S/c1-3-8-19-17-20(27(34)37-2)11-12-21(19)38-22-23(28)31-26(25-29-14-7-15-30-25)32-24(22)33-39(35,36)16-13-18-9-5-4-6-10-18/h4-7,9-17H,3,8H2,1-2H3,(H,31,32,33)/b16-13+