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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H27NO6S2/c1-4-32-25-16-21-18-27(34(28,29)19(2)3)24(15-20-11-7-5-8-12-20)23(21)17-26(25)35(30,31)33-22-13-9-6-10-14-22/h5-17,19H,4,18H2,1-3H3/b24-15-