[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[(4-isopropylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-cumenylsulfonylamino)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C20H27N3O5S/c1-15(2)16-5-7-17(8-6-16)29(26,27)22-12-9-19(25)28-13-18(24)23-20(14-21)10-3-4-11-20/h5-8,15,22H,3-4,9-13H2,1-2H3,(H,23,24)