3-[5-chloranyl-1-[5-(2,4-dimethoxypyrimidin-5-yl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-chloranyl-1-[5-(2,4-dimethoxypyrimidin-5-yl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-chloro-1-[[5-(2,4-dimethoxypyrimidin-5-yl)-2-thienyl]sulfonyl]indol-3-yl]propanoic acid CAS Name: 3-[5-chloro-1-[[5-(2,4-dimethoxy-5-pyrimidinyl)-2-thiophenyl]sulfonyl]-3-indolyl]propanoic acid IUPAC Name: 3-[5-chloro-1-[5-(2,4-dimethoxypyrimidin-5-yl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-chloro-1-[[5-(2,4-dimethoxypyrimidin-5-yl)-2-thienyl]sulfonyl]indol-3-yl]propionic acid Formula: C21H18ClN3O6S2 MolecularWeight: 507.96712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C2=CC=C(S2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O)OC

Isomeric SMILES

COC1=NC(=NC=C1C2=CC=C(S2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O)OC

InChI

InChI=1S/C21H18ClN3O6S2/c1-30-20-15(10-23-21(24-20)31-2)17-6-8-19(32-17)33(28,29)25-11-12(3-7-18(26)27)14-9-13(22)4-5-16(14)25/h4-6,8-11H,3,7H2,1-2H3,(H,26,27)