(NE)-N-[[2-hex-1-ynyl-1-(phenylsulfonyl)indol-3-yl]methylidene]hydroxylamine

Systemtic Name: (NE)-N-[[2-hex-1-ynyl-1-(phenylsulfonyl)indol-3-yl]methylidene]hydroxylamine Openeye Name: (3E)-1-(benzenesulfonyl)-2-hex-1-ynyl-indole-3-carbaldehyde oxime CAS Name: (3E)-1-(benzenesulfonyl)-2-hex-1-ynyl-3-indolecarboxaldehyde oxime IUPAC Name: (NE)-N-[[1-(benzenesulfonyl)-2-hex-1-ynylindol-3-yl]methylidene]hydroxylamine Traditional Name: (3E)-1-besyl-2-hex-1-ynyl-indole-3-carbaldehyde oxime Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)C=NO

Isomeric SMILES

CCCCC#CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)/C=N/O

InChI

InChI=1S/C21H20N2O3S/c1-2-3-4-8-14-21-19(16-22-24)18-13-9-10-15-20(18)23(21)27(25,26)17-11-6-5-7-12-17/h5-7,9-13,15-16,24H,2-4H2,1H3/b22-16+