[2-acetyloxy-5-bromanyl-1-(phenylsulfonyl)indol-3-yl] ethanoate

Systemtic Name: [2-acetyloxy-5-bromanyl-1-(phenylsulfonyl)indol-3-yl] ethanoate Openeye Name: [2-acetoxy-1-(benzenesulfonyl)-5-bromo-indol-3-yl] acetate CAS Name: acetic acid [2-acetyloxy-1-(benzenesulfonyl)-5-bromo-3-indolyl] ester IUPAC Name: [2-acetyloxy-1-(benzenesulfonyl)-5-bromoindol-3-yl] acetate Traditional Name: acetic acid (2-acetoxy-1-besyl-5-bromo-indol-3-yl) ester Formula: C18H14BrNO6S MolecularWeight: 452.27586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(N(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C18H14BrNO6S/c1-11(21)25-17-15-10-13(19)8-9-16(15)20(18(17)26-12(2)22)27(23,24)14-6-4-3-5-7-14/h3-10H,1-2H3