4-[5-[[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]diazenyl]-4-cyano-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonic acid

Systemtic Name: 4-[5-[[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]diazenyl]-4-cyano-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonic acid Openeye Name: 4-[5-[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]azo-4-cyano-pyrazol-1-yl]-2,5-dichloro-benzenesulfonic acid CAS Name: 4-[5-[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]azo-4-cyano-1-pyrazolyl]-2,5-dichlorobenzenesulfonic acid IUPAC Name: 4-[5-[[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid Traditional Name: 4-[5-[2-acetamido-4-[ethyl(4-sulfobutyl)amino]phenyl]azo-4-cyano-pyrazol-1-yl]-2,5-dichloro-besylic acid Formula: C24H25Cl2N7O7S2 MolecularWeight: 658.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=C(C=NN2C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C#N)NC(=O)C

Isomeric SMILES

CCN(CCCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=C(C=NN2C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C#N)NC(=O)C

InChI

InChI=1S/C24H25Cl2N7O7S2/c1-3-32(8-4-5-9-41(35,36)37)17-6-7-20(21(10-17)29-15(2)34)30-31-24-16(13-27)14-28-33(24)22-11-19(26)23(12-18(22)25)42(38,39)40/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)