[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C15H20N2O6S/c1-3-4-9-16-15(20)17-13(18)10-23-14(19)11-5-7-12(8-6-11)24(2,21)22/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)