2-[[3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)sulfonyl-prop-1-en-2-yl]amino]isoindole-1,3-dione

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)sulfonyl-prop-1-en-2-yl]amino]isoindole-1,3-dione Openeye Name: 2-[[1-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(p-tolylsulfonyl)vinyl]amino]isoindoline-1,3-dione CAS Name: 2-[[3-(1,3-benzoxazol-2-ylthio)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]amino]isoindole-1,3-dione IUPAC Name: 2-[[3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]amino]isoindole-1,3-dione Traditional Name: 2-[[1-[(1,3-benzoxazol-2-ylthio)methyl]-2-tosyl-vinyl]amino]isoindoline-1,3-quinone Formula: C25H19N3O5S2 MolecularWeight: 505.56546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=C(CSC2=NC3=CC=CC=C3O2)NN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C=C(CSC2=NC3=CC=CC=C3O2)NN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O5S2/c1-16-10-12-18(13-11-16)35(31,32)15-17(14-34-25-26-21-8-4-5-9-22(21)33-25)27-28-23(29)19-6-2-3-7-20(19)24(28)30/h2-13,15,27H,14H2,1H3