methyl 3-[5-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoate

Systemtic Name: methyl 3-[5-bromanyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoate Openeye Name: methyl 3-[5-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropanoate CAS Name: 3-[[5-bromo-1-(4-methoxyphenyl)sulfonyl-3-indolyl]oxy]propanoic acid methyl ester IUPAC Name: methyl 3-[5-bromo-1-(4-methoxyphenyl)sulfonylindol-3-yl]oxypropanoate Traditional Name: 3-[5-bromo-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]oxypropionic acid methyl ester Formula: C19H18BrNO6S MolecularWeight: 468.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO6S/c1-25-14-4-6-15(7-5-14)28(23,24)21-12-18(27-10-9-19(22)26-2)16-11-13(20)3-8-17(16)21/h3-8,11-12H,9-10H2,1-2H3