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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)C(C)C

InChI

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