3-[[4-[(3-chloranyl-4,5-dimethoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-chloranyl-4,5-dimethoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(3-chloro-4,5-dimethoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(3-chloro-4,5-dimethoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(3-chloro-4,5-dimethoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C18H19ClN2O7S MolecularWeight: 442.87066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)Cl)OC

InChI

InChI=1S/C18H19ClN2O7S/c1-27-15-10-11(9-14(19)17(15)28-2)18(24)21-12-3-5-13(6-4-12)29(25,26)20-8-7-16(22)23/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,24)(H,22,23)