ethyl 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-3-26-18(23)20-12-10-19(11-13-20)17(22)16-8-9-21(28(2,24)25)14-6-4-5-7-15(14)27-16/h4-7,16H,3,8-13H2,1-2H3