dipotassium 1-[3-acetamido-4-[[2-[2,6-bis(chloranyl)-4-sulfonato-phenyl]-4-cyano-5-phenyl-pyrazol-3-yl]diazenyl]phenyl]piperidine-4-carboxylate

Systemtic Name: dipotassium 1-[3-acetamido-4-[[2-[2,6-bis(chloranyl)-4-sulfonato-phenyl]-4-cyano-5-phenyl-pyrazol-3-yl]diazenyl]phenyl]piperidine-4-carboxylate Openeye Name: dipotassium 1-[3-acetamido-4-[4-cyano-2-(2,6-dichloro-4-sulfonato-phenyl)-5-phenyl-pyrazol-3-yl]azo-phenyl]piperidine-4-carboxylate CAS Name: dipotassium 1-[3-acetamido-4-[[4-cyano-2-(2,6-dichloro-4-sulfonatophenyl)-5-phenyl-3-pyrazolyl]azo]phenyl]-4-piperidinecarboxylate IUPAC Name: dipotassium 1-[3-acetamido-4-[[4-cyano-2-(2,6-dichloro-4-sulfonatophenyl)-5-phenylpyrazol-3-yl]diazenyl]phenyl]piperidine-4-carboxylate Traditional Name: dipotassium 1-[3-acetamido-4-[4-cyano-2-(2,6-dichloro-4-sulfonato-phenyl)-5-phenyl-pyrazol-3-yl]azo-phenyl]isonipecotate Formula: C30H23Cl2K2N7O6S MolecularWeight: 758.71452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCC(CC2)C(=O)[O-])N=NC3=C(C(=NN3C4=C(C=C(C=C4Cl)S(=O)(=O)[O-])Cl)C5=CC=CC=C5)C#N.[K+].[K+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCC(CC2)C(=O)[O-])N=NC3=C(C(=NN3C4=C(C=C(C=C4Cl)S(=O)(=O)[O-])Cl)C5=CC=CC=C5)C#N.[K+].[K+]

InChI

InChI=1S/C30H25Cl2N7O6S.2K/c1-17(40)34-26-13-20(38-11-9-19(10-12-38)30(41)42)7-8-25(26)35-36-29-22(16-33)27(18-5-3-2-4-6-18)37-39(29)28-23(31)14-21(15-24(28)32)46(43,44)45;;/h2-8,13-15,19H,9-12H2,1H3,(H,34,40)(H,41,42)(H,43,44,45);;/q;2*+1/p-2