4-[[3-(5-chloranyl-2-methoxy-phenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(5-chloranyl-2-methoxy-phenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(5-chloro-2-methoxy-phenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazole-5-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazol-5-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(5-chloro-2-methoxy-phenyl)sulfonyl-2-phenyl-2H-1,3-benzoxazole-5-carbonyl]amino]benzoic acid Formula: C28H21ClN2O7S MolecularWeight: 564.99354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C(OC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C(OC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN2O7S/c1-37-24-14-10-20(29)16-25(24)39(35,36)31-22-15-19(26(32)30-21-11-7-18(8-12-21)28(33)34)9-13-23(22)38-27(31)17-5-3-2-4-6-17/h2-16,27H,1H3,(H,30,32)(H,33,34)