(E)-2-[[1-(phenylsulfonyl)indol-3-yl]methyl]but-2-enal

Systemtic Name: (E)-2-[[1-(phenylsulfonyl)indol-3-yl]methyl]but-2-enal Openeye Name: (E)-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]but-2-enal CAS Name: (E)-2-[[1-(benzenesulfonyl)-3-indolyl]methyl]-2-butenal IUPAC Name: (E)-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]but-2-enal Traditional Name: (E)-2-[(1-besylindol-3-yl)methyl]but-2-enal Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C=O

Isomeric SMILES

C/C=C(\CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)/C=O

InChI

InChI=1S/C19H17NO3S/c1-2-15(14-21)12-16-13-20(19-11-7-6-10-18(16)19)24(22,23)17-8-4-3-5-9-17/h2-11,13-14H,12H2,1H3/b15-2+