2-methyl-8-[2-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-methyl-8-[2-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-methyl-8-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-methyl-8-[2-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-methyl-8-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-methyl-8-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]caprylic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(CCCCCCN1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C19H25N3O6S/c1-14(18(24)25)8-4-2-3-7-12-22-13-11-20-19(22)21-17(23)15-9-5-6-10-16(15)29(26,27)28/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,24,25)(H,20,21,23)(H,26,27,28)