methyl 2-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C21H23ClN2O8S/c1-29-18-10-13(21(26)31-3)14(11-19(18)30-2)23-20(25)17-7-8-24(33(4,27)28)15-9-12(22)5-6-16(15)32-17/h5-6,9-11,17H,7-8H2,1-4H3,(H,23,25)