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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-4-16(5-2)20-18(22)13-27-19(23)15-7-6-14(3)17(12-15)28(24,25)21-8-10-26-11-9-21/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,20,22)