[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20ClN3O6S MolecularWeight: 405.8538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C15H20ClN3O6S/c1-9(2)5-6-18-15(22)19-13(20)8-25-14(21)10-3-4-11(16)12(7-10)26(17,23)24/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,23,24)(H2,18,19,20,22)