2-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoylamino]benzoic acid Openeye Name: 2-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoylamino]benzoic acid CAS Name: 2-[[1-oxo-2-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octyl]amino]benzoic acid IUPAC Name: 2-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoylamino]benzoic acid Traditional Name: 2-[2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoylamino]benzoic acid Formula: C25H28N4O7S MolecularWeight: 528.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC=CC=C1C(=O)O)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC=CC=C1C(=O)O)N2C=C(N=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C25H28N4O7S/c1-2-3-4-5-13-20(24(31)27-19-12-8-6-10-17(19)25(32)33)29-15-22(26-16-29)28-23(30)18-11-7-9-14-21(18)37(34,35)36/h6-12,14-16,20H,2-5,13H2,1H3,(H,27,31)(H,28,30)(H,32,33)(H,34,35,36)