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

Systemtic Name: ethyl 4-[3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22ClN3O7S MolecularWeight: 459.90118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O7S/c1-2-28-18(25)22-6-4-21(5-7-22)17(24)3-8-30(26,27)15-10-14-13(9-12(15)19)20-16(23)11-29-14/h9-10H,2-8,11H2,1H3,(H,20,23)