[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25N3O6S/c1-14(22-29(25,26)16-8-6-15(27-2)7-9-16)18(24)28-12-17(23)21-19(13-20)10-4-3-5-11-19/h6-9,14,22H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m0/s1