[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H22BrN3O7S MolecularWeight: 492.34148

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H22BrN3O7S/c1-2-5-19-17(24)20-15(22)11-28-16(23)12-3-4-13(18)14(10-12)29(25,26)21-6-8-27-9-7-21/h3-4,10H,2,5-9,11H2,1H3,(H2,19,20,22,24)