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

Systemtic Name: ethyl 4-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H23N3O7S/c1-2-27-18(24)21-8-6-20(7-9-21)17(23)5-10-29(25,26)13-3-4-15-14(11-13)19-16(22)12-28-15/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)