4-[1-(phenylsulfonyl)indol-4-yl]but-3-yn-2-one

Systemtic Name: 4-[1-(phenylsulfonyl)indol-4-yl]but-3-yn-2-one Openeye Name: 4-[1-(benzenesulfonyl)indol-4-yl]but-3-yn-2-one CAS Name: 4-[1-(benzenesulfonyl)-4-indolyl]-3-butyn-2-one IUPAC Name: 4-[1-(benzenesulfonyl)indol-4-yl]but-3-yn-2-one Traditional Name: 4-(1-besylindol-4-yl)but-3-yn-2-one Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO3S/c1-14(20)10-11-15-6-5-9-18-17(15)12-13-19(18)23(21,22)16-7-3-2-4-8-16/h2-9,12-13H,1H3