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

Systemtic Name: 2-[[1-[1-oxidanylidene-1-(2-sulfanylideneimidazolidin-1-yl)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-(2-thioxoimidazolidine-1-carbonyl)heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[1-[1-oxo-1-(2-sulfanylidene-1-imidazolidinyl)octan-2-yl]-4-imidazolyl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-oxo-1-(2-sulfanylideneimidazolidin-1-yl)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-(2-thioxoimidazolidine-1-carbonyl)heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CCNC1=S)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)N1CCNC1=S)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C21H27N5O5S2/c1-2-3-4-5-9-16(20(28)26-12-11-22-21(26)32)25-13-18(23-14-25)24-19(27)15-8-6-7-10-17(15)33(29,30)31/h6-8,10,13-14,16H,2-5,9,11-12H2,1H3,(H,22,32)(H,24,27)(H,29,30,31)