2-[(5-chloranyl-2-cyclohexylcarbonyl-phenyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-2-cyclohexylcarbonyl-phenyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[5-chloro-2-(cyclohexanecarbonyl)-N-(3,4-dimethoxyphenyl)sulfonyl-anilino]acetic acid CAS Name: 2-[5-chloro-2-[cyclohexyl(oxo)methyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetic acid IUPAC Name: 2-[5-chloro-2-(cyclohexanecarbonyl)-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetic acid Traditional Name: 2-[5-chloro-2-(cyclohexanecarbonyl)-N-(3,4-dimethoxyphenyl)sulfonyl-anilino]acetic acid Formula: C23H26ClNO7S MolecularWeight: 495.97304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=C(C=CC(=C2)Cl)C(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=C(C=CC(=C2)Cl)C(=O)C3CCCCC3)OC

InChI

InChI=1S/C23H26ClNO7S/c1-31-20-11-9-17(13-21(20)32-2)33(29,30)25(14-22(26)27)19-12-16(24)8-10-18(19)23(28)15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,26,27)