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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O7S/c1-3-6-19-18(24)20-16(22)12-28-17(23)14-5-4-13(2)15(11-14)29(25,26)21-7-9-27-10-8-21/h4-5,11H,3,6-10,12H2,1-2H3,(H2,19,20,22,24)