[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2)C3(CCCCC3)C#N

InChI

InChI=1S/C22H28ClN3O5S/c1-25(22(16-24)10-4-2-5-11-22)20(27)15-31-21(28)17-8-9-18(23)19(14-17)32(29,30)26-12-6-3-7-13-26/h8-9,14H,2-7,10-13,15H2,1H3