[(1R)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1R)-2-oxocyclohexyl] 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid [(1R)-2-ketocyclohexyl] ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCCCC3=O)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H]3CCCCC3=O)Cl

InChI

InChI=1S/C19H24ClNO5S/c1-13-5-4-10-21(12-13)27(24,25)18-11-14(8-9-15(18)20)19(23)26-17-7-3-2-6-16(17)22/h8-9,11,13,17H,2-7,10,12H2,1H3/t13-,17+/m0/s1