3-[[4-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(4-butoxy-3-chloro-5-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

InChI

InChI=1S/C21H25ClN2O7S/c1-3-4-11-31-20-17(22)12-14(13-18(20)30-2)21(27)24-15-5-7-16(8-6-15)32(28,29)23-10-9-19(25)26/h5-8,12-13,23H,3-4,9-11H2,1-2H3,(H,24,27)(H,25,26)