2-[[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C18H19BrN2O7S MolecularWeight: 487.32166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Br)OC

InChI

InChI=1S/C18H19BrN2O7S/c1-27-15-7-11(14(19)9-16(15)28-2)8-17(22)21-12-3-5-13(6-4-12)29(25,26)20-10-18(23)24/h3-7,9,20H,8,10H2,1-2H3,(H,21,22)(H,23,24)