dimethyl 5-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H21ClN2O8S/c1-30-20(26)12-8-13(21(27)31-2)10-15(9-12)23-19(25)18-6-7-24(33(3,28)29)16-11-14(22)4-5-17(16)32-18/h4-5,8-11,18H,6-7H2,1-3H3,(H,23,25)