ethyl 4-[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(5-chloro-2-ethoxy-phenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(5-chloro-2-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(5-chloro-2-ethoxy-phenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30ClN3O6S MolecularWeight: 487.9974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H30ClN3O6S/c1-3-30-18-6-5-17(22)15-19(18)32(28,29)25-9-7-16(8-10-25)20(26)23-11-13-24(14-12-23)21(27)31-4-2/h5-6,15-16H,3-4,7-14H2,1-2H3