4-(4-nitrophenyl)-3-(phenylsulfonyl)butan-2-one

Systemtic Name: 4-(4-nitrophenyl)-3-(phenylsulfonyl)butan-2-one Openeye Name: 3-(benzenesulfonyl)-4-(4-nitrophenyl)butan-2-one CAS Name: 3-(benzenesulfonyl)-4-(4-nitrophenyl)-2-butanone IUPAC Name: 3-(benzenesulfonyl)-4-(4-nitrophenyl)butan-2-one Traditional Name: 3-besyl-4-(4-nitrophenyl)butan-2-one Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO5S/c1-12(18)16(23(21,22)15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)17(19)20/h2-10,16H,11H2,1H3