N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; 4-[(2-chlorophenyl)amino]benzenesulfonate

Systemtic Name: N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; 4-[(2-chlorophenyl)amino]benzenesulfonate Openeye Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-(2-chloroanilino)benzenesulfonate CAS Name: N-(4-bromophenyl)-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide; 4-(2-chloroanilino)benzenesulfonate IUPAC Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-(2-chloroanilino)benzenesulfonate Traditional Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-(2-chloroanilino)besylate Formula: C25H21BrClN3O5S MolecularWeight: 590.87334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-])Cl.C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-])Cl.C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H11BrN2O2.C12H10ClNO3S/c14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16;13-11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)18(15,16)17/h1-8H,9H2,(H-,15,17,18);1-8,14H,(H,15,16,17)