ethyl 4-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H24ClN3O6S/c1-3-27-18(24)21-10-8-20(9-11-21)17(23)16-6-7-22(29(2,25)26)14-12-13(19)4-5-15(14)28-16/h4-5,12,16H,3,6-11H2,1-2H3