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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-3-4-7-19-17(21)13-26-18(22)15-6-5-14(2)16(12-15)27(23,24)20-8-10-25-11-9-20/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,19,21)