2-[[4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(3-bromo-5-ethoxy-4-methoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C18H19BrN2O7S MolecularWeight: 487.32166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Br)OC

InChI

InChI=1S/C18H19BrN2O7S/c1-3-28-15-9-11(8-14(19)17(15)27-2)18(24)21-12-4-6-13(7-5-12)29(25,26)20-10-16(22)23/h4-9,20H,3,10H2,1-2H3,(H,21,24)(H,22,23)