2-[[4-[(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-bromo-4-ethoxycarbonyl-phenyl)sulfonylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[(2-bromo-4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(2-bromo-4-ethoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(2-bromo-4-carbethoxy-phenyl)sulfonylamino]benzoyl]amino]acetic acid Formula: C18H17BrN2O7S MolecularWeight: 485.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)Br

InChI

InChI=1S/C18H17BrN2O7S/c1-2-28-18(25)12-5-8-15(14(19)9-12)29(26,27)21-13-6-3-11(4-7-13)17(24)20-10-16(22)23/h3-9,21H,2,10H2,1H3,(H,20,24)(H,22,23)