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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H23BrN2O6S MolecularWeight: 463.34332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O6S/c1-2-3-6-19-16(21)12-26-17(22)13-4-5-14(18)15(11-13)27(23,24)20-7-9-25-10-8-20/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,21)