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

Systemtic Name: methyl 1-[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonylisonipecotic acid methyl ester Formula: C22H31ClN2O6S MolecularWeight: 487.00934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C22H31ClN2O6S/c1-15-12-18(23)20(32(28,29)25-10-8-16(9-11-25)22(27)30-2)13-19(15)31-14-21(26)24-17-6-4-3-5-7-17/h12-13,16-17H,3-11,14H2,1-2H3,(H,24,26)