ethyl 1-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C16H19ClN2O6S MolecularWeight: 402.84986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H19ClN2O6S/c1-2-24-16(21)10-3-5-19(6-4-10)26(22,23)14-8-13-12(7-11(14)17)18-15(20)9-25-13/h7-8,10H,2-6,9H2,1H3,(H,18,20)