3-[1-[5-(3-chloranyl-4-fluoranyl-phenyl)thiophen-2-yl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[5-(3-chloranyl-4-fluoranyl-phenyl)thiophen-2-yl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-[[5-(3-chloro-4-fluoro-phenyl)-2-thienyl]sulfonyl]-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-[[5-(3-chloro-4-fluorophenyl)-2-thiophenyl]sulfonyl]-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-[[5-(3-chloro-4-fluoro-phenyl)-2-thienyl]sulfonyl]-5-methoxy-indol-3-yl]propionic acid Formula: C22H17ClFNO5S2 MolecularWeight: 493.955483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFNO5S2/c1-30-15-4-6-19-16(11-15)14(3-8-21(26)27)12-25(19)32(28,29)22-9-7-20(31-22)13-2-5-18(24)17(23)10-13/h2,4-7,9-12H,3,8H2,1H3,(H,26,27)