2-[[1-[1-oxidanylidene-1-(pyridin-2-ylamino)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[1-oxidanylidene-1-(pyridin-2-ylamino)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-(2-pyridylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[1-[1-oxo-1-(2-pyridinylamino)octan-2-yl]-4-imidazolyl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-oxo-1-(pyridin-2-ylamino)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-(2-pyridylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC=CC=N1)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC=CC=N1)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C23H27N5O5S/c1-2-3-4-5-11-18(23(30)26-20-13-8-9-14-24-20)28-15-21(25-16-28)27-22(29)17-10-6-7-12-19(17)34(31,32)33/h6-10,12-16,18H,2-5,11H2,1H3,(H,27,29)(H,24,26,30)(H,31,32,33)