[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2(CCCCC2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2(CCCCC2)C#N)C

InChI

InChI=1S/C20H27N3O5S/c1-15-6-7-17(12-16(15)2)29(26,27)22-11-8-19(25)28-13-18(24)23-20(14-21)9-4-3-5-10-20/h6-7,12,22H,3-5,8-11,13H2,1-2H3,(H,23,24)