2-[[1-(1-oxidanylideneoctan-2-yl)imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-(1-oxidanylideneoctan-2-yl)imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-(1-formylheptyl)imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[1-(1-oxooctan-2-yl)-4-imidazolyl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[1-(1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-(1-formylheptyl)imidazol-4-yl]carbamoyl]besylic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-2-3-4-5-8-14(12-22)21-11-17(19-13-21)20-18(23)15-9-6-7-10-16(15)27(24,25)26/h6-7,9-14H,2-5,8H2,1H3,(H,20,23)(H,24,25,26)