[2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] ethanesulfonate

Systemtic Name: [2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] ethanesulfonate Openeye Name: [2-carbamoyl-3-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-carbamoyl-3-[[1-(methylthio)propan-2-ylamino]-oxomethyl]phenyl] ester IUPAC Name: [2-carbamoyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-carbamoyl-3-[[1-methyl-2-(methylthio)ethyl]carbamoyl]phenyl] ester Formula: C14H20N2O5S2 MolecularWeight: 360.449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)N)C(=O)NC(C)CSC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)N)C(=O)NC(C)CSC

InChI

InChI=1S/C14H20N2O5S2/c1-4-23(19,20)21-11-7-5-6-10(12(11)13(15)17)14(18)16-9(2)8-22-3/h5-7,9H,4,8H2,1-3H3,(H2,15,17)(H,16,18)