4-oct-1-ynyl-1-(phenylsulfonyl)indole

Systemtic Name: 4-oct-1-ynyl-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-4-oct-1-ynyl-indole CAS Name: 1-(benzenesulfonyl)-4-oct-1-ynylindole IUPAC Name: 1-(benzenesulfonyl)-4-oct-1-ynylindole Traditional Name: 1-besyl-4-oct-1-ynyl-indole Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C2C=CN(C2=CC=C1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC#CC1=C2C=CN(C2=CC=C1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO2S/c1-2-3-4-5-6-8-12-19-13-11-16-22-21(19)17-18-23(22)26(24,25)20-14-9-7-10-15-20/h7,9-11,13-18H,2-6H2,1H3