2-[(1E)-1-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-3H-isoindol-5-yl]phenol

Systemtic Name: 2-[(1E)-1-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-3H-isoindol-5-yl]phenol Openeye Name: 2-[(1E)-1-benzylidene-2,6-bis(isopropylsulfonyl)isoindolin-5-yl]phenol CAS Name: 2-[(1E)-1-(phenylmethylene)-2,6-bis(propan-2-ylsulfonyl)-3H-isoindol-5-yl]phenol IUPAC Name: 2-[(1E)-1-benzylidene-2,6-bis(propan-2-ylsulfonyl)-3H-isoindol-5-yl]phenol Traditional Name: 2-[(1E)-1-benzal-2,6-bis(isopropylsulfonyl)isoindolin-5-yl]phenol Formula: C27H29NO5S2 MolecularWeight: 511.65286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(CN(C2=CC3=CC=CC=C3)S(=O)(=O)C(C)C)C=C1C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC\2=C(CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C(C)C)C=C1C4=CC=CC=C4O

InChI

InChI=1S/C27H29NO5S2/c1-18(2)34(30,31)27-16-23-21(15-24(27)22-12-8-9-13-26(22)29)17-28(35(32,33)19(3)4)25(23)14-20-10-6-5-7-11-20/h5-16,18-19,29H,17H2,1-4H3/b25-14+