[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC(=O)N

InChI

InChI=1S/C16H21N3O7S/c1-10-3-4-12(27(23,24)19-5-7-25-8-6-19)9-13(10)15(21)26-11(2)14(20)18-16(17)22/h3-4,9,11H,5-8H2,1-2H3,(H3,17,18,20,22)