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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C=NO

Isomeric SMILES

CCCCC#CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)/C=N/O

InChI

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