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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H29NO5S2/c1-18(2)34(30,31)26-15-21-17-28(23-12-8-9-13-25(23)29)24(14-20-10-6-5-7-11-20)22(21)16-27(26)35(32,33)19(3)4/h5-16,18-19,29H,17H2,1-4H3/b24-14+