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

Systemtic Name: 2-[(3E)-6-bromanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-6-bromo-2-isopropylsulfonyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-6-bromo-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-6-bromo-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-6-bromo-2-isopropylsulfonyl-isoindolin-5-yl]phenol Formula: C24H22BrNO3S MolecularWeight: 484.40538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)Br)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)Br)C4=CC=CC=C4O

InChI

InChI=1S/C24H22BrNO3S/c1-16(2)30(28,29)26-15-18-13-22(25)21(19-10-6-7-11-24(19)27)14-20(18)23(26)12-17-8-4-3-5-9-17/h3-14,16,27H,15H2,1-2H3/b23-12+