phenyl (3E)-6-ethoxy-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate

Systemtic Name: phenyl (3E)-6-ethoxy-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-ethoxy-6-isopropylsulfonyl-isoindoline-2-sulfonate CAS Name: (3E)-6-ethoxy-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-ethoxy-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-ethoxy-6-isopropylsulfonyl-isoindoline-2-sulfonic acid phenyl ester Formula: C26H27NO6S2 MolecularWeight: 513.62568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C26H27NO6S2/c1-4-32-25-16-21-18-27(35(30,31)33-22-13-9-6-10-14-22)24(15-20-11-7-5-8-12-20)23(21)17-26(25)34(28,29)19(2)3/h5-17,19H,4,18H2,1-3H3/b24-15+