ethyl 4-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O6S MolecularWeight: 419.88038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O6S/c1-3-25-16(22)19-4-6-20(7-5-19)27(23,24)14-9-13(26-10-15(18)21)11(2)8-12(14)17/h8-9H,3-7,10H2,1-2H3,(H2,18,21)