[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

InChI

InChI=1S/C23H27N3O5S/c1-26(23(17-24)12-5-2-6-13-23)21(27)16-31-22(28)11-14-25-32(29,30)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-10,15,25H,2,5-6,11-14,16H2,1H3