ethyl 4-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chloro-4-methoxy-phenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28ClN3O6S MolecularWeight: 473.97082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H28ClN3O6S/c1-3-30-20(26)23-12-10-22(11-13-23)19(25)15-6-8-24(9-7-15)31(27,28)16-4-5-18(29-2)17(21)14-16/h4-5,14-15H,3,6-13H2,1-2H3