[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O7S/c1-13(2)11-19-17(21)12-27-18(22)14-4-5-15(25-3)16(10-14)28(23,24)20-6-8-26-9-7-20/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,21)