1-(4-nitrophenyl)-2-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-(4-nitrophenyl)-2-(phenylsulfonyl)butan-1-one Openeye Name: 2-(benzenesulfonyl)-1-(4-nitrophenyl)butan-1-one CAS Name: 2-(benzenesulfonyl)-1-(4-nitrophenyl)-1-butanone IUPAC Name: 2-(benzenesulfonyl)-1-(4-nitrophenyl)butan-1-one Traditional Name: 2-besyl-1-(4-nitrophenyl)butan-1-one Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-2-15(23(21,22)14-6-4-3-5-7-14)16(18)12-8-10-13(11-9-12)17(19)20/h3-11,15H,2H2,1H3