2-bromanyl-4-nitro-1,3-diphenyl-butan-1-one; 2-chloranyl-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-bromanyl-4-nitro-1,3-diphenyl-butan-1-one; 2-chloranyl-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-bromo-4-nitro-1,3-diphenyl-butan-1-one; 2-chloro-2-(p-tolylsulfonyl)acetamide CAS Name: 2-bromo-4-nitro-1,3-diphenyl-1-butanone; 2-chloro-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-bromo-4-nitro-1,3-diphenylbutan-1-one; 2-chloro-2-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-bromo-4-nitro-1,3-diphenyl-butan-1-one; 2-chloro-2-tosyl-acetamide Formula: C25H24BrClN2O6S MolecularWeight: 595.88986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3.C9H10ClNO3S/c17-15(16(19)13-9-5-2-6-10-13)14(11-18(20)21)12-7-3-1-4-8-12;1-6-2-4-7(5-3-6)15(13,14)8(10)9(11)12/h1-10,14-15H,11H2;2-5,8H,1H3,(H2,11,12)