4-[[5-(5-chloranyl-2-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[5-(5-chloranyl-2-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbonylamino]benzoic acid Openeye Name: 4-[[5-(5-chloro-2-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-7-carbonyl]amino]benzoic acid CAS Name: 4-[[[5-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-7-carbonyl]amino]benzoic acid Traditional Name: 4-[[5-(5-chloro-2-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-7-carbonyl]amino]benzoic acid Formula: C24H21ClN2O7S MolecularWeight: 516.95074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCOC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCOC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21ClN2O7S/c1-33-21-10-6-17(25)14-22(21)35(31,32)27-11-2-12-34-20-9-5-16(13-19(20)27)23(28)26-18-7-3-15(4-8-18)24(29)30/h3-10,13-14H,2,11-12H2,1H3,(H,26,28)(H,29,30)