[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H24ClN3O5S MolecularWeight: 441.92896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCNS(=O)(=O)C1=CC(=CC=C1)Cl)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCNS(=O)(=O)C1=CC(=CC=C1)Cl)C2(CCCCC2)C#N

InChI

InChI=1S/C19H24ClN3O5S/c1-23(19(14-21)9-3-2-4-10-19)17(24)13-28-18(25)8-11-22-29(26,27)16-7-5-6-15(20)12-16/h5-7,12,22H,2-4,8-11,13H2,1H3