(3E)-3-(phenylmethylidene)-2,5,6-tris(propan-2-ylsulfonyl)-1H-isoindole

Systemtic Name: (3E)-3-(phenylmethylidene)-2,5,6-tris(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-1-benzylidene-2,5,6-tris(isopropylsulfonyl)isoindoline CAS Name: (3E)-3-(phenylmethylene)-2,5,6-tris(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-3-benzylidene-2,5,6-tris(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-2,5,6-tris(isopropylsulfonyl)isoindoline Formula: C24H31NO6S3 MolecularWeight: 525.70104

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C24H31NO6S3/c1-16(2)32(26,27)23-13-20-15-25(34(30,31)18(5)6)22(12-19-10-8-7-9-11-19)21(20)14-24(23)33(28,29)17(3)4/h7-14,16-18H,15H2,1-6H3/b22-12+