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

Systemtic Name: ethyl 1-[3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]isonipecotic acid ethyl ester Formula: C19H23ClN2O7S MolecularWeight: 458.91312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O7S/c1-2-28-19(25)12-3-6-22(7-4-12)18(24)5-8-30(26,27)16-10-15-14(9-13(16)20)21-17(23)11-29-15/h9-10,12H,2-8,11H2,1H3,(H,21,23)