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

Systemtic Name: dimethyl 5-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-29-20(25)13-10-14(21(26)30-2)12-15(11-13)22-19(24)18-8-9-23(32(3,27)28)16-6-4-5-7-17(16)31-18/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,24)