chromium(3+); N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-pyrazine-2-carboxamide; pyridine-2-carboxylate

Systemtic Name: chromium(3+); N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-pyrazine-2-carboxamide; pyridine-2-carboxylate Openeye Name: chromic; N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-pyrazine-2-carboxamide; pyridine-2-carboxylate CAS Name: chromium(3+); N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-5-methyl-2-pyrazinecarboxamide; 2-pyridinecarboxylate IUPAC Name: chromium(3+); N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methylpyrazine-2-carboxamide; pyridine-2-carboxylate Traditional Name: chromic; N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-pyrazinamide; picolinate Formula: C39H39CrN8O10S MolecularWeight: 863.83566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3]

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3]

InChI

InChI=1S/C21H27N5O4S.3C6H5NO2.Cr/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17;3*8-6(9)5-3-1-2-4-7-5;/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28);3*1-4H,(H,8,9);/q;;;;+3/p-3