ethyl 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-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)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-4-26-18(23)20-9-7-19(8-10-20)17(22)16-12-21(28(3,24)25)14-11-13(2)5-6-15(14)27-16/h5-6,11,16H,4,7-10,12H2,1-3H3