2-[[7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-[(4-sulfamoylphenyl)methyl]-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-[(4-sulfamoylphenyl)methyl]-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-chloro-2-isopropyl-3-oxo-4-[(4-sulfamoylphenyl)methyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-chloro-3-oxo-2-propan-2-yl-4-[(4-sulfamoylphenyl)methyl]-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-chloro-3-oxo-2-propan-2-yl-4-[(4-sulfamoylphenyl)methyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-chloro-2-isopropyl-3-keto-4-(4-sulfamoylbenzyl)-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C22H24ClN3O7S MolecularWeight: 509.95986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H24ClN3O7S/c1-12(2)20-22(30)26(11-13-3-6-15(7-4-13)34(24,31)32)19(21(29)25-10-18(27)28)16-9-14(23)5-8-17(16)33-20/h3-9,12,19-20H,10-11H2,1-2H3,(H,25,29)(H,27,28)(H2,24,31,32)