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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C19H23ClN2O7S/c1-2-28-19(25)12-4-3-6-22(10-12)18(24)5-7-30(26,27)16-9-15-14(8-13(16)20)21-17(23)11-29-15/h8-9,12H,2-7,10-11H2,1H3,(H,21,23)