3-hex-1-ynyl-1-(phenylsulfonyl)indole-2-carbaldehyde

Systemtic Name: 3-hex-1-ynyl-1-(phenylsulfonyl)indole-2-carbaldehyde Openeye Name: 1-(benzenesulfonyl)-3-hex-1-ynyl-indole-2-carbaldehyde CAS Name: 1-(benzenesulfonyl)-3-hex-1-ynyl-2-indolecarboxaldehyde IUPAC Name: 1-(benzenesulfonyl)-3-hex-1-ynylindole-2-carbaldehyde Traditional Name: 1-besyl-3-hex-1-ynyl-indole-2-carbaldehyde Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S/c1-2-3-4-8-13-19-18-14-9-10-15-20(18)22(21(19)16-23)26(24,25)17-11-6-5-7-12-17/h5-7,9-12,14-16H,2-4H2,1H3