3-[6-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[6-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[6-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[6-bromo-1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[6-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)CCC(=O)O

InChI

InChI=1S/C18H16BrNO5S/c1-25-14-4-6-15(7-5-14)26(23,24)20-11-12(2-9-18(21)22)16-8-3-13(19)10-17(16)20/h3-8,10-11H,2,9H2,1H3,(H,21,22)