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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCC1)C#N)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O6S/c1-13(21-28(24,25)15-7-5-14(26-2)6-8-15)17(23)27-11-16(22)20-18(12-19)9-3-4-10-18/h5-8,13,21H,3-4,9-11H2,1-2H3,(H,20,22)/t13-/m0/s1