[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20ClN3O6S MolecularWeight: 405.8538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C15H20ClN3O6S/c1-10(2)17-15(22)18-13(20)9-25-14(21)8-19(26(3,23)24)12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H2,17,18,20,22)