ethyl (3S)-1-[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-chloranyl-5-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-chloro-5-[2-(cyclohexylamino)-2-oxo-ethoxy]-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[2-chloro-5-[2-(cyclohexylamino)-2-keto-ethoxy]-4-methyl-phenyl]sulfonylnipecotic acid ethyl ester Formula: C23H33ClN2O6S MolecularWeight: 501.03592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)NC3CCCCC3)C)Cl

InChI

InChI=1S/C23H33ClN2O6S/c1-3-31-23(28)17-8-7-11-26(14-17)33(29,30)21-13-20(16(2)12-19(21)24)32-15-22(27)25-18-9-5-4-6-10-18/h12-13,17-18H,3-11,14-15H2,1-2H3,(H,25,27)/t17-/m0/s1