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

Systemtic Name: butyl 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate CAS Name: 4-[[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoate Traditional Name: 4-[(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)amino]benzoic acid butyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-3-4-15-29-22(26)16-9-11-17(12-10-16)23-21(25)20-13-14-24(31(2,27)28)18-7-5-6-8-19(18)30-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,25)