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

Systemtic Name: ethyl 4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H22ClN3O6S MolecularWeight: 431.89108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O6S/c1-3-26-17(23)20-8-6-19(7-9-20)16(22)15-11-21(28(2,24)25)13-10-12(18)4-5-14(13)27-15/h4-5,10,15H,3,6-9,11H2,1-2H3