methyl 1-[2-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-chloro-4-morpholinosulfonyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-chloro-4-(4-morpholinylsulfonyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chloro-4-morpholinosulfonyl-phenoxy)acetyl]isonipecotic acid methyl ester Formula: C19H25ClN2O7S MolecularWeight: 460.929

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H25ClN2O7S/c1-27-19(24)14-4-6-21(7-5-14)18(23)13-29-17-3-2-15(12-16(17)20)30(25,26)22-8-10-28-11-9-22/h2-3,12,14H,4-11,13H2,1H3