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

Systemtic Name: ethyl 4-[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H32ClN3O6S MolecularWeight: 502.02398

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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)NC3CCCCC3)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl

InChI

InChI=1S/C22H32ClN3O6S/c1-3-31-22(28)25-9-11-26(12-10-25)33(29,30)20-14-19(16(2)13-18(20)23)32-15-21(27)24-17-7-5-4-6-8-17/h13-14,17H,3-12,15H2,1-2H3,(H,24,27)