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

Systemtic Name: ethyl 4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H18ClN3O6S MolecularWeight: 403.83792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C15H18ClN3O6S/c1-2-24-15(21)18-3-5-19(6-4-18)26(22,23)13-8-12-11(7-10(13)16)17-14(20)9-25-12/h7-8H,2-6,9H2,1H3,(H,17,20)