[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2(CCCCC2)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2(CCCCC2)C#N)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O5S/c1-15-8-4-5-9-16(15)22(28(2,25)26)12-18(24)27-13-17(23)21-19(14-20)10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,23)