tert-butyl 4-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylsulfonylanilino)-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylsulfonylanilino)-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-2-(4-mesylanilino)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-17(22)20-15-5-7-16(8-6-15)27(4,24)25/h5-8,14H,9-13H2,1-4H3,(H,20,22)