3,3-dimethyl-2-methylidene-1-[1-(phenylsulfonyl)indol-2-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-2-methylidene-1-[1-(phenylsulfonyl)indol-2-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)indol-2-yl]-3,3-dimethyl-2-methylene-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-2-indolyl]-3,3-dimethyl-2-methylene-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)indol-2-yl]-3,3-dimethyl-2-methylidenebutan-1-one Traditional Name: 1-(1-besylindol-2-yl)-2-tert-butyl-prop-2-en-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C)C(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=C)C(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-15(21(2,3)4)20(23)19-14-16-10-8-9-13-18(16)22(19)26(24,25)17-11-6-5-7-12-17/h5-14H,1H2,2-4H3