3-[[3-(4-bromophenyl)azanidylsulfonyl-4-methyl-phenyl]carbonylamino]benzoate

Systemtic Name: 3-[[3-(4-bromophenyl)azanidylsulfonyl-4-methyl-phenyl]carbonylamino]benzoate Openeye Name: 3-[[3-(4-bromophenyl)azanidylsulfonyl-4-methyl-benzoyl]amino]benzoate CAS Name: 3-[[[3-(4-bromophenyl)azanidylsulfonyl-4-methylphenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[3-(4-bromophenyl)azanidylsulfonyl-4-methylbenzoyl]amino]benzoate Traditional Name: 3-[[3-(4-bromophenyl)azanidylsulfonyl-4-methyl-benzoyl]amino]benzoate Formula: C21H15BrN2O5S-2 MolecularWeight: 487.3232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)[O-])S(=O)(=O)[N-]C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)[O-])S(=O)(=O)[N-]C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN2O5S/c1-13-5-6-14(20(25)23-18-4-2-3-15(11-18)21(26)27)12-19(13)30(28,29)24-17-9-7-16(22)8-10-17/h2-12H,1H3,(H,23,25)(H,26,27)/q-1/p-1