(Z)-3-[4-bromanyl-1-(phenylsulfonyl)indol-2-yl]but-2-enoic acid

Systemtic Name: (Z)-3-[4-bromanyl-1-(phenylsulfonyl)indol-2-yl]but-2-enoic acid Openeye Name: (Z)-3-[1-(benzenesulfonyl)-4-bromo-indol-2-yl]but-2-enoic acid CAS Name: (Z)-3-[1-(benzenesulfonyl)-4-bromo-2-indolyl]-2-butenoic acid IUPAC Name: (Z)-3-[1-(benzenesulfonyl)-4-bromoindol-2-yl]but-2-enoic acid Traditional Name: (Z)-3-(1-besyl-4-bromo-indol-2-yl)but-2-enoic acid Formula: C18H14BrNO4S MolecularWeight: 420.27706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2Br

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2Br

InChI

InChI=1S/C18H14BrNO4S/c1-12(10-18(21)22)17-11-14-15(19)8-5-9-16(14)20(17)25(23,24)13-6-3-2-4-7-13/h2-11H,1H3,(H,21,22)/b12-10-