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

Systemtic Name: butyl 4-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate CAS Name: 4-[[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate Traditional Name: 4-[(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoic acid butyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O6S/c1-3-4-13-30-22(27)15-5-8-17(9-6-15)24-21(26)20-11-12-25(32(2,28)29)18-14-16(23)7-10-19(18)31-20/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,24,26)