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

Systemtic Name: ethyl 4-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7S/c1-3-28-19(25)22-8-6-21(7-9-22)18(24)10-13(2)30(26,27)14-4-5-16-15(11-14)20-17(23)12-29-16/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,20,23)