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

Systemtic Name: 2-[[1-[1-oxidanylidene-1-(propylamino)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-(propylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[1-[1-oxo-1-(propylamino)octan-2-yl]-4-imidazolyl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-oxo-1-(propylamino)octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-(propylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NCCC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NCCC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C21H30N4O5S/c1-3-5-6-7-11-17(21(27)22-13-4-2)25-14-19(23-15-25)24-20(26)16-10-8-9-12-18(16)31(28,29)30/h8-10,12,14-15,17H,3-7,11,13H2,1-2H3,(H,22,27)(H,24,26)(H,28,29,30)