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

Systemtic Name: phenyl (3E)-3-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-2,6-bis(isopropylsulfonyl)isoindoline-5-sulfonate CAS Name: (3E)-3-(phenylmethylene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2,6-bis(isopropylsulfonyl)isoindoline-5-sulfonic acid phenyl ester Formula: C27H29NO7S3 MolecularWeight: 575.71666

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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)S(=O)(=O)C(C)C)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO7S3/c1-19(2)36(29,30)26-16-22-18-28(37(31,32)20(3)4)25(15-21-11-7-5-8-12-21)24(22)17-27(26)38(33,34)35-23-13-9-6-10-14-23/h5-17,19-20H,18H2,1-4H3/b25-15+