4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]benzoic acid Openeye Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoic acid CAS Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]benzoic acid IUPAC Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]benzoic acid Traditional Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoic acid Formula: C22H20BrNO5S MolecularWeight: 490.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H20BrNO5S/c1-15-3-9-18(10-4-15)24(14-16-5-7-17(8-6-16)22(25)26)30(27,28)19-11-12-21(29-2)20(23)13-19/h3-13H,14H2,1-2H3,(H,25,26)