[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O5S/c19-14-18(10-5-2-6-11-18)21-16(22)13-26-17(23)9-12-20-27(24,25)15-7-3-1-4-8-15/h1,3-4,7-8,20H,2,5-6,9-13H2,(H,21,22)