3-(4-methylphenyl)-4-nitro-1-phenyl-2-(phenylsulfonyl)pentan-1-one

Systemtic Name: 3-(4-methylphenyl)-4-nitro-1-phenyl-2-(phenylsulfonyl)pentan-1-one Openeye Name: 2-(benzenesulfonyl)-4-nitro-1-phenyl-3-(p-tolyl)pentan-1-one CAS Name: 2-(benzenesulfonyl)-3-(4-methylphenyl)-4-nitro-1-phenyl-1-pentanone IUPAC Name: 2-(benzenesulfonyl)-3-(4-methylphenyl)-4-nitro-1-phenylpentan-1-one Traditional Name: 2-besyl-4-nitro-1-phenyl-3-(p-tolyl)pentan-1-one Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)[N+](=O)[O-])C(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)[N+](=O)[O-])C(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H23NO5S/c1-17-13-15-19(16-14-17)22(18(2)25(27)28)24(23(26)20-9-5-3-6-10-20)31(29,30)21-11-7-4-8-12-21/h3-16,18,22,24H,1-2H3