phenyl (1Z)-2-bromanyl-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1Z)-2-bromanyl-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-1-benzylidene-2-bromo-6-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (1Z)-2-bromo-1-(phenylmethylene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-1-benzylidene-2-bromo-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-2-bromo-6-isopropylsulfonyl-isoindoline-5-sulfonic acid phenyl ester Formula: C24H22BrNO5S2 MolecularWeight: 548.46918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)Br)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C\C3=CC=CC=C3)/C2=C1)Br)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H22BrNO5S2/c1-17(2)32(27,28)23-15-21-19(16-26(25)22(21)13-18-9-5-3-6-10-18)14-24(23)33(29,30)31-20-11-7-4-8-12-20/h3-15,17H,16H2,1-2H3/b22-13-