methyl 4,5-dimethoxy-2-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate Traditional Name: 2-[(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H24N2O8S/c1-28-18-11-13(21(25)30-3)14(12-19(18)29-2)22-20(24)17-9-10-23(32(4,26)27)15-7-5-6-8-16(15)31-17/h5-8,11-12,17H,9-10H2,1-4H3,(H,22,24)