4-[[5-(4-bromophenyl)carbonyl-2-methyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[5-(4-bromophenyl)carbonyl-2-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[5-(4-bromobenzoyl)-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[5-[(4-bromophenyl)-oxomethyl]-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[5-(4-bromobenzoyl)-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[5-(4-bromobenzoyl)-2-methyl-phenyl]sulfonylamino]benzoic acid Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16BrNO5S/c1-13-2-3-16(20(24)14-4-8-17(22)9-5-14)12-19(13)29(27,28)23-18-10-6-15(7-11-18)21(25)26/h2-12,23H,1H3,(H,25,26)